SCHEMBL3440706

SCHEMBL3440706

CCOC(=S)Sc1ccccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.41
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
CYP2D6 P10635 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL34475112 1.00 HTR7 (0.41) HTR7LMNASMN1; SMN2KMT2AMAPT
SCHEMBL11855841 0.75 ALDH1A1 (0.41) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL3440680 0.75 SMN1; SMN2 (0.42) LMNASMN1; SMN2MAPTALDH1A1ALOX12
SCHEMBL263800 0.74 ALDH1A1 (0.44) LMNASMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL34474013 0.74 ALDH1A1 (0.36) LMNASMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL28961906 0.74 ALDH1A1 (0.41) LMNASMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL168769 0.74 MMP2 (0.45) LMNASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL770110 0.73 DHODH (0.41) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL19677876 0.71 HTR7 (0.49) HTR7LMNASMN1; SMN2KMT2AMAPT
SCHEMBL4664565 0.71 RORC (0.38) SMN1; SMN2ALDH1A1KDM4EHPGDCYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807713-B2 Pan-antagonists for the androgen receptor and androgen associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2010-10-05 US disclosed
US-20090270512-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-29 US disclosed
US-7550505-B2 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2009-06-23 US disclosed
US-20080064757-A1 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-13 US disclosed
WO-2008013791-A2 PAN-ANTAGONISTS FOR THE ANDROGEN RECEPTOR AND ANDROGEN RECEPTOR MUTANTS ASSOCIATED WITH ANTI-ANDROGEN WITHDRAWAL UNIVERSITY OF DELAWARE (US) 2008-01-31 WO 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 (2 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-20090270512-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal AR, NR5A1, SHBG HTR7 493/4885LMNA 4175/4885SMN1; SMN2 4483/4885
US-20080064757-A1 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal AR, NR5A1, SHBG HTR7 493/4885LMNA 4175/4885SMN1; SMN2 4483/4885

“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.