SCHEMBL1180183

SCHEMBL1180183

COc1ccc(-c2ncc(-c3cccc(OC)c3)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.51
HSD17B2 P37059 4/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2C9 P11712 3/20 0.51
MMP2 P08253 3/20 0.49
MMP9 P14780 3/20 0.49
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47

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
SCHEMBL1180851 0.95 HSD17B1 (0.54) HSD17B1HSD17B2CYP3A4CYP2C9MMP2
SCHEMBL1181058 0.92 HSD17B1 (0.59) HSD17B1HSD17B2CYP3A4CYP2C9DYRK1A
SCHEMBL28743481 0.89 KDM4E (0.56) HSD17B1HSD17B2CYP3A4CYP2C9MMP2
SCHEMBL1180159 0.89 APP (0.57) HSD17B1HSD17B2CYP3A4CYP2C9MMP2
SCHEMBL2225106 0.87 HSD17B1 (0.48) HSD17B1HSD17B2CYP3A4CYP2C9MMP2
SCHEMBL6693612 0.82 ACHE (0.57) HSD17B1HSD17B2CYP3A4CYP2C9DYRK1A
SCHEMBL16493394 0.82 MMP2 (0.51) CYP3A4CYP2C9MMP2MMP9DYRK1A
SCHEMBL2603423 0.82 MMP2 (0.51) CYP3A4CYP2C9MMP2MMP9DYRK1A
SCHEMBL4257417 0.80 CSNK2A2 (0.57) HSD17B1HSD17B2CYP3A4CYP2C9MMP2
SCHEMBL1180781 0.79 APP (0.74) HSD17B1HSD17B2CYP3A4CYP2C9DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
EP-2190421-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2010-06-02 EP disclosed
WO-2009027346-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-03-05 WO disclosed
WO-2009027346-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-03-05 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 (1 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-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES HSD17B1, HSD17B11, HSD17B2 HSD17B1 1/4885HSD17B2 3/4885CYP3A4 343/4885

“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.