SCHEMBL444609

SCHEMBL444609

C=CCC(CC=C)(Cc1ccccc1OC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL11159367 0.77 MEN1 (0.42) KMT2AMEN1NPC1RAB9AMTNR1A
SCHEMBL6724764 0.77 MEN1 (0.42) KMT2AMEN1NPC1RAB9AMTNR1A
Hydrochloric Acid SCHEMBL11394663 0.76 IDO1 (0.43) KMT2AALDH1A1MEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL11394668 0.76 IDO1 (0.43) KMT2AALDH1A1MEN1NPC1RAB9A
Bicarbonate SCHEMBL3212051 0.75 KDM4E (0.54) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL4460773 0.75 HIF1A (0.49) KMT2AMEN1NPC1RAB9AMTNR1A
SCHEMBL9580083 0.75 ALDH1A1 (0.53) KMT2AALDH1A1TSHRMEN1HTT
SCHEMBL6826870 0.74 KMT2A (0.42) KMT2AALDH1A1TSHRTAAR1
SCHEMBL444608 0.74 ALDH1A1 (0.57) KMT2AALDH1A1TSHRMEN1NPC1
SCHEMBL1133249 0.73 BLM (0.46) KMT2AALDH1A1MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957016-B2 Tumor activated prodrugs GENSPERA, INC. 2015-02-17 US disclosed
US-8822406-B2 Tumor activated prodrugs GENSPERA, INC. (US) 2014-09-02 US disclosed
US-8772226-B2 Methods and compositions for the detection of cancer THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-08 US disclosed
US-20120270768-A1 Tumor Activated Prodrugs INSPYR THERAPEUTICS, INC. 2012-10-25 US disclosed
US-20120270767-A1 Tumor Activated Prodrugs INSPYR THERAPEUTICS, INC. 2012-10-25 US disclosed
US-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-19 US disclosed
EP-2408465-A2 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER The Johns Hopkins University (US) 2012-01-25 EP disclosed
WO-2010107909-A2 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2010-09-23 WO disclosed
US-7767648-B2 Tissue specific prodrugs GENSPERA, INC. (US) 2010-08-03 US disclosed
US-20100120697-A1 Tumor Activated Prodrugs GENSPERA, INC. 2010-05-13 US disclosed
WO-2007081516-A2 TUMOR ACTIVATED PRODRUGS GENSPERA, INC. (US) 2007-07-19 WO disclosed
US-20070160536-A1 prodrug comprising 8-O-(12[L-leucinoylamino]dodecanoyl)-8-O-debutanoylthapsigargin (L12ADT); and a peptide of sequence Ser-Ser-Lys-Tyr-Gln; peptide is linked to the L12ADT to inhibit the therapeutic activity of the drug; anticarcinogenic agent; benign prostate hyperplasia; prostate and breast cancer INSPYR THERAPEUTICS, INC. 2007-07-12 US disclosed
US-20040029778-A1 Tissue specific prodrugs INSPYR THERAPEUTICS, INC. 2004-02-12 US disclosed
US-6545131-B1 Splitting drug with prostate specific antigen; activation of drug; antiproliferative agents THE JOHNS HOPKINS UNIVERSITY 2003-04-08 US disclosed
US-6504014-B1 Tissue specific prodrug THE JOHN HOPKINS UNIVERSITY 2003-01-07 US disclosed
US-6410514-B1 MIXTURE OF THERAPEUTICALLY ACTIVE DRUG AND PEPTIDE THE JOHNS HOPKINS UNIVERSITY 2002-06-25 US disclosed
WO-2002043773-A2 TISSUE SPECIFIC PRODRUGS THE JOHNS HOPKINS UNIVERSITY (US) 2002-06-06 WO disclosed
WO-2001093861-A1 TISSUE SPECIFIC PRODRUG THE JOHN HOPKINS UNIVERSITY (US) 2001-12-13 WO disclosed
US-6265540-B1 PEPTIDE HAVING SPECIFIC AMINO ACID SEQUENCE WHICH IS CLEAVAGE SITE FOR PROSTATE SPECIFIC ANTIGEN PROTEOLYTIC ACTIVITY; ANTIPROLIFERATIVE AGENTS THE JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE 2001-07-24 US disclosed
WO-1998052966-A1 TISSUE SPECIFIC PRODRUG THE JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDECINE (US) 1998-11-26 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 (5 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-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER KLK3, KLK2, KLK5 KMT2A 351/4885ALDH1A1 1673/4885TSHR 4530/4885
US-20120270768-A1 Tumor Activated Prodrugs PREP, DNPEP, THOP1 KMT2A 1241/4885ALDH1A1 1699/4885TSHR 1678/4885
US-20070160536-A1 prodrug comprising 8-O-(12[L-leucinoylamino]dodecanoyl)-8-O-debutanoylthapsigargin (L12ADT); and a peptide of sequence Ser-Ser-Lys-Tyr-Gln; peptide is linked to the L12ADT to inhibit the therapeutic activity of the drug; anticarcinogenic agent; benign prostate hyperplasia; prostate and breast cancer PEPD, BPHL, PTMS KMT2A 129/4885ALDH1A1 1255/4885TSHR 1982/4885
US-20100120697-A1 Tumor Activated Prodrugs DNPEP, PREP, PEPD KMT2A 684/4885ALDH1A1 2136/4885TSHR 3537/4885
US-20120270767-A1 Tumor Activated Prodrugs DNPEP, PREP, PEPD KMT2A 684/4885ALDH1A1 2136/4885TSHR 3537/4885

“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.