SCHEMBL1180965

SCHEMBL1180965

Oc1ccc(-c2csc(-c3cccc(O)c3)n2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 8/20 0.84
HSD17B2 P37059 8/20 0.84
CYP19A1 P11511 3/20 0.64
KDM4E B2RXH2 3/20 0.60
POLB P06746 3/20 0.60
MAPT P10636 3/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 2/20 0.60
GAA P10253 2/20 0.60
PKM P14618 2/20 0.60
HPGD P15428 2/20 0.60
ALOX12 P18054 2/20 0.60
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
USP2 O75604 1/20 0.60
HSP90AA1 P07900 1/20 0.60
HSP90AB1 P08238 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60

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
SCHEMBL1181077 0.94 HSD17B1 (0.84) HSD17B1HSD17B2CYP19A1KDM4EPOLB
SCHEMBL1180078 0.92 HSD17B1 (1.00) HSD17B1HSD17B2CYP19A1KDM4EPOLB
SCHEMBL26121417 0.86 HSD17B1 (0.63) HSD17B1HSD17B2CYP19A1KDM4EPOLB
SCHEMBL8050280 0.85 HSD17B1 (0.87) HSD17B1HSD17B2CYP19A1KDM4EPOLB
SCHEMBL8051375 0.85 SREBF2 (0.70) HSD17B1HSD17B2CYP19A1KDM4EPOLB
SCHEMBL6330424 0.85 SREBF2 (0.70) HSD17B1HSD17B2CYP19A1KDM4EPOLB
SCHEMBL1181195 0.84 KDM4E (0.75) HSD17B1HSD17B2CYP19A1KDM4EPOLB
SCHEMBL8057629 0.83 HSD17B1 (0.82) HSD17B1HSD17B2CYP19A1KDM4EPOLB
SCHEMBL17409318 0.82 CYP19A1 (0.71) HSD17B1HSD17B2CYP19A1KDM4EPOLB
SCHEMBL26135549 0.82 MAPT (0.88) HSD17B1HSD17B2CYP19A1KDM4EPOLB

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 9 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 claimed
EP-2190421-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2010-06-02 EP claimed
WO-2009027346-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-03-05 WO claimed
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 3/4885CYP19A1 15/4885

“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.