SCHEMBL786726

SCHEMBL786726

COc1cc(C(=O)c2csc(-c3ccccc3)c2)cc(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.46
HSD17B2 P37059 2/20 0.46
CNR2 P34972 2/20 0.46
TUBB4A P04350 11/20 0.46
TUBB P07437 11/20 0.46
TUBA3C P0DPH7 11/20 0.46
TUBA1B P68363 11/20 0.46
TUBA4A P68366 11/20 0.46
TUBB4B P68371 11/20 0.46
TUBB3 Q13509 11/20 0.46
TUBB2A Q13885 11/20 0.46
TUBB8 Q3ZCM7 11/20 0.46
TUBA3E Q6PEY2 11/20 0.46
TUBA1A Q71U36 11/20 0.46
TUBA1C Q9BQE3 11/20 0.46
TUBB6 Q9BUF5 11/20 0.46
TUBB2B Q9BVA1 11/20 0.46
TUBB1 Q9H4B7 11/20 0.46
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.38

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
SCHEMBL15996366 0.94 CNR2 (0.49) HSD17B1HSD17B2CNR2TUBB4ATUBB
SCHEMBL724212 0.86 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17732373 0.84 CNR2 (0.56) HSD17B1HSD17B2CNR2TUBB4ATUBB
SCHEMBL15151686 0.81 TUBB4A (0.53) HSD17B1HSD17B2CNR2TUBB4ATUBB
SCHEMBL257531 0.81 HPGD (0.54) CNR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27605120 0.79 HSD17B1 (0.52) HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL10367856 0.76 ATM (0.55) HSD17B1HSD17B2CNR2
SCHEMBL2454052 0.72 TSHR (0.53) HSD17B1HSD17B2TSHR
SCHEMBL18562033 0.70 ALDH1A1 (0.56)
SCHEMBL10367391 0.70 MAPT (0.52) HSD17B1HSD17B2RXFP1CYP1A2

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-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx. Inc. (US) 2017-08-10 US disclosed
US-9447049-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2016-09-20 US disclosed
US-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 US disclosed
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 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 (3 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-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HSD17B1 1191/4885HSD17B2 1371/4885CNR2 3922/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HSD17B1 1191/4885HSD17B2 1371/4885CNR2 3922/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HSD17B1 1191/4885HSD17B2 1371/4885CNR2 3922/4885

“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.