SCHEMBL1683709

SCHEMBL1683709

COc1cccc(C(=O)c2csc(C3=CCCC=C3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
STS P08842 1/20 0.39
FGFR2 P21802 1/20 0.39
KDR P35968 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39

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
SCHEMBL1683754 0.89 FGFR2 (0.38) FGFR3MAPTTP53FGFR2ALDH1A1
SCHEMBL1683643 0.87 ALDH1A1 (0.41) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL4423934 0.84 ALDH1A1 (0.50) SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL1683954 0.81 EGFR (0.53)
SCHEMBL1683771 0.80 CNR2 (0.46) CNR2SMN1; SMN2NPC1RAB9AFGFR4
SCHEMBL1683639 0.78 CNR2 (0.55) CNR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4427216 0.78 CNR2 (0.47) CNR2SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL1683987 0.74 TLR7 (0.44) KDM4EKMT2A
SCHEMBL1683879 0.72 HPGD (0.38) HPGDMAPTALDH1A1MEN1KMT2A
SCHEMBL9954603 0.72 ALDH1A1 (0.45) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 US disclosed
US-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 US disclosed
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2019-03-28 US disclosed
EP-2303021-B1 COMPOUNDS FOR THE TREATMENT OF CANCER UNIV TENNESSEE RES FOUND (US) 2018-12-19 EP disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 US disclosed
EP-3289876-A1 COMPOUNDS FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2018-03-07 EP disclosed
EP-2959900-A1 COMPOUND FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2015-12-30 EP disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
US-8592465-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-11-26 US disclosed
EP-2303021-A2 COMPOUNDS FOR THE TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2011-04-06 EP disclosed
WO-2010074776-A2 COMPOUNDS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-07-01 WO disclosed
US-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-12-31 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 (6 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-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER HCCS, NQO1, CCNY CNR2 495/4885SMN1; SMN2 2763/4885NPC1 726/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 CNR2 3924/4885SMN1; SMN2 1722/4885NPC1 3854/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 CNR2 3924/4885SMN1; SMN2 1722/4885NPC1 3854/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CNR2 3924/4885SMN1; SMN2 1722/4885NPC1 3854/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CNR2 3924/4885SMN1; SMN2 1722/4885NPC1 3854/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CNR2 3924/4885SMN1; SMN2 1722/4885NPC1 3854/4885

“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.