SCHEMBL2770164

SCHEMBL2770164

S=C(S)CCCCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.54
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NAAA Q02083 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HRH3 Q9Y5N1 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
LMNA P02545 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
HDAC1 Q13547 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18601247 0.95 CYP1A2 (0.57) HRH1CYP1A2CYP2C19SMN1; SMN2NAAA
SCHEMBL289899 0.89 HRH1 (0.53) HRH1CYP1A2CYP2C19SMN1; SMN2CA12
SCHEMBL726512 0.81 HRH1 (0.76) HRH1CYP1A2CYP2C19SMN1; SMN2NAAA
SCHEMBL9658041 0.81 SMN1; SMN2 (0.61) HRH1CYP1A2CYP2C19SMN1; SMN2NAAA
SCHEMBL2843489 0.79 HRH1 (0.80) HRH1CYP1A2CYP2C19SMN1; SMN2NAAA
SCHEMBL31040594 0.79 HRH1 (0.80) HRH1CYP1A2CYP2C19SMN1; SMN2NAAA
Hydrochloric Acid SCHEMBL5827595 0.79 HRH1 (0.73) HRH1CYP1A2CYP2C19SMN1; SMN2NAAA
SCHEMBL659243 0.79 HRH1 (0.80) HRH1CYP1A2CYP2C19SMN1; SMN2NAAA
SCHEMBL4418086 0.79 HRH1 (0.80) HRH1CYP1A2CYP2C19SMN1; SMN2NAAA
SCHEMBL11734076 0.79 HRH1 (0.80) HRH1CYP1A2CYP2C19SMN1; SMN2NAAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118847-A1 MODIFIELD ANTIBODIES TO PROSTATE-SPECIFIC MEMBRANE ANTIGEN AND USES THEREOF CORNELL RESEARCH FOUNDATION, INC. 2018-05-03 US disclosed
US-20170037142-A1 METHODS OF TREATING PROSTATE CANCER WITH ANTI-PROSTATE SPECIFIC MEMBRANE ANTIGEN ANTIBODIES BANDER NEIL H (US) 2017-02-09 US disclosed
US-8653238-B2 Compositions and methods for transport of molecules with enhanced release properties across biological barriers THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-02-18 US disclosed
US-20100278726-A1 Modified Antibodies to Prostate-Specific Membrane Antigen and Uses Thereof CORNELL RESEARCH FOUNDATION, INC. (US) 2010-11-04 US disclosed
US-20100255499-A1 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-07 US disclosed
EP-1599228-B1 MODIFIED ANTIBODIES TO PROSTATE-SPECIFIC MEMBRANE ANTIGEN AND USES THEREOF CORNELL RES FOUNDATION INC (US) 2010-04-28 EP disclosed
US-7666414-B2 Using modified anti-PSMA antibodies, or fragments thereof, to bind to human PSMA with high affinity and specificity; can be used as diagnostic, prophylactic, or therapeutic agents in vivo and in vitro CORNELL RESEARCH FOUNDATION, INC. (US) 2010-02-23 US disclosed
US-20090280120-A1 METHODS OF TREATING PROSTATE CANCER WITH ANTI-PROSTATE SPECIFIC MEMBRANE ANTIGEN ANTIBODIES US ARMY, SECRETARY OF THE ARMY 2009-11-12 US disclosed
US-7514078-B2 Methods of treating prostate cancer with anti-prostate specific membrane antigen antibodies CORNELL RESEARCH FOUNDATION, INC. (US) 2009-04-07 US disclosed
EP-1988911-A2 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS The Board Of Trustees Of The University Of the Leland Stanford Junior University (US) 2008-11-12 EP disclosed
EP-1599228-A4 MODIFIED ANTIBODIES TO PROSTATE-SPECIFIC MEMBRANE ANTIGEN AND USES THEREOF CORNELL RES FOUNDATION INC (US) 2007-05-02 EP disclosed
US-20060088539-A1 Modified antibodies to prostate-specific membrane antigen and uses thereof US GOVERNMENT - SECRETARY FOR THE ARMY 2006-04-27 US disclosed
US-20060062793-A1 Modified antibodies to prostate-specific membrane antigen and uses thereof US ARMY, SECRETARY OF THE ARMY 2006-03-23 US disclosed
EP-1610818-A1 MODIFIED ANTIBODIES TO PROSTATE-SPECIFIC MEMBRANE ANTIGEN AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-04 EP disclosed
EP-1599228-A2 MODIFIED ANTIBODIES TO PROSTATE-SPECIFIC MEMBRANE ANTIGEN AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-30 EP disclosed
WO-2005094882-A1 MODIFIED ANTIBODIES TO PROSTATE-SPECIFIC MEMBRANE ANTIGEN AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-13 WO disclosed
WO-2004098535-A9 MODIFIED ANTIBODIES TO PROSTATE-SPECIFIC MEMBRANE ANTIGEN AND USES THEREOF MILLENNIUM PHARM INC (US) 2005-02-24 WO disclosed
WO-2004098535-A2 MODIFIED ANTIBODIES TO PROSTATE-SPECIFIC MEMBRANE ANTIGEN AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
US-20040120958-A1 Modified antibodies to prostate-specific membrane antigen and uses thereof US GOVERNMENT - SECRETARY OF THE ARMY 2004-06-24 US disclosed
US-20020013485-A1 Cytotoxic agents comprising taxanes and their therapeutic use IMMUNOGEN, INC. 2002-01-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020013485-A1 Cytotoxic agents comprising taxanes and their therapeutic use TP53, MCL1, TOP1 HRH1 4093/4885CYP1A2 4748/4885CYP2C19 4683/4885
US-20180118847-A1 MODIFIELD ANTIBODIES TO PROSTATE-SPECIFIC MEMBRANE ANTIGEN AND USES THEREOF KLK3, FOLH1, PSMA1 HRH1 3633/4885CYP1A2 4876/4885CYP2C19 4856/4885
US-20100278726-A1 Modified Antibodies to Prostate-Specific Membrane Antigen and Uses Thereof KLK3, FOLH1, PSMA6 HRH1 3133/4885CYP1A2 4880/4885CYP2C19 4857/4885
US-20170037142-A1 METHODS OF TREATING PROSTATE CANCER WITH ANTI-PROSTATE SPECIFIC MEMBRANE ANTIGEN ANTIBODIES KLK3, FOLH1, PSMA6 HRH1 3463/4885CYP1A2 4879/4885CYP2C19 4850/4885
US-20060062793-A1 Modified antibodies to prostate-specific membrane antigen and uses thereof KLK3, FOLH1, PSMA6 HRH1 3133/4885CYP1A2 4880/4885CYP2C19 4857/4885
US-20090280120-A1 METHODS OF TREATING PROSTATE CANCER WITH ANTI-PROSTATE SPECIFIC MEMBRANE ANTIGEN ANTIBODIES KLK3, FOLH1, PSMA6 HRH1 3463/4885CYP1A2 4879/4885CYP2C19 4850/4885
US-20060088539-A1 Modified antibodies to prostate-specific membrane antigen and uses thereof KLK3, FOLH1, PSMA6 HRH1 3133/4885CYP1A2 4880/4885CYP2C19 4857/4885
US-20100255499-A1 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS SLC2A9, SLC43A1, SLC2A8 HRH1 3268/4885CYP1A2 4472/4885CYP2C19 4027/4885
US-20040120958-A1 Modified antibodies to prostate-specific membrane antigen and uses thereof KLK3, FOLH1, PSMA6 HRH1 3133/4885CYP1A2 4880/4885CYP2C19 4857/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.