SCHEMBL1179817

SCHEMBL1179817

Oc1cccc(-c2ccc(-c3cccc(F)c3)s2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 15/20 1.00
HSD17B2 P37059 14/20 1.00
CYP3A4 P08684 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C19 P33261 2/20 0.68
ESRRG P62508 3/20 0.59
HPGDS O60760 1/20 0.56
ESR2 Q92731 1/20 0.53

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
SCHEMBL1180762 0.89 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19
SCHEMBL1181010 0.88 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19
SCHEMBL1180118 0.84 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19
SCHEMBL20764241 0.84 HSD17B1 (0.72) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19
SCHEMBL1028270 0.84 ESR2 (0.72) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19
SCHEMBL1180468 0.82 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19
SCHEMBL1180426 0.82 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19
SCHEMBL1180589 0.81 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19
SCHEMBL1180066 0.78 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19
SCHEMBL28527720 0.76 HSD17B1 (0.62) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19

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-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US 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
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.