SCHEMBL2738481

SCHEMBL2738481

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@H](CCCC(=O)O)CC2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 3/20 0.62
▸ HSD17B1 P14061 7/20 0.55
▸ ESR1 P03372 6/20 0.55
▸ LMNA P02545 4/20 0.55
▸ ESR2 Q92731 4/20 0.55
▸ HSD17B10 Q99714 4/20 0.55
▸ MAPT P10636 3/20 0.55
▸ HIF1A Q16665 3/20 0.55
▸ AKR1B10 O60218 2/20 0.55
▸ SHBG P04278 2/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ PGR P06401 2/20 0.55
▸ SERPINA6 P08185 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ AR P10275 2/20 0.55
▸ AKR1B1 P15121 2/20 0.55
▸ SLC6A4 P31645 2/20 0.55
▸ SNCA P37840 2/20 0.55
▸ HTR2B P41595 2/20 0.55
▸ BLM P54132 2/20 0.55

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
SCHEMBL218463 1.00 STS (0.62) STSHSD17B1ESR1LMNAESR2
SCHEMBL218464 1.00 STS (0.62) STSHSD17B1ESR1LMNAESR2
SCHEMBL18652154 1.00 STS (0.62) STSHSD17B1ESR1LMNAESR2
SCHEMBL217081 1.00 STS (0.62) STSHSD17B1ESR1LMNAESR2
SCHEMBL217082 1.00 STS (0.62) STSHSD17B1ESR1LMNAESR2
SCHEMBL5025218 0.96 STS (0.60) STSHSD17B1ESR1LMNAESR2
SCHEMBL5025212 0.96 STS (0.60) STSHSD17B1ESR1LMNAESR2
SCHEMBL4893106 0.94 STS (0.69) STSHSD17B1ESR1LMNAESR2
SCHEMBL4893115 0.94 STS (0.69) STSHSD17B1ESR1LMNAESR2
SCHEMBL22524224 0.92 STS (0.53) STSHSD17B1ESR1LMNAESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435973-B2 17-beta HSD1 and STS inhibitors ABBOTT PRODUCTS GMBH (DE) 2013-05-07 — — US disclosed
US-8288367-B2 Treatment or inhibition of a steroid hormone dependent disorder; reducing spermatogenesis or male virility; 17 beta -hydroxysteroid dehydrogenase (17 beta-HSD) inhibitors; compounds such as 3-(benzylamino)-15alpha-(4-morpholin-4-yl-4-oxobutyl)estra-1(10),2,4-trien-17-one SOLVAY PHARMACEUTICALS GMBH (DE) 2012-10-16 — — US disclosed
US-8288367-B2 Treatment or inhibition of a steroid hormone dependent disorder; reducing spermatogenesis or male virility; 17 beta -hydroxysteroid dehydrogenase (17 beta-HSD) inhibitors; compounds such as 3-(benzylamino)-15alpha-(4-morpholin-4-yl-4-oxobutyl)estra-1(10),2,4-trien-17-one SOLVAY PHARMACEUTICALS GMBH (DE) 2012-10-16 — — US disclosed
EP-1888615-B1 17 -HSD1 AND STS INHIBITORS ABBOTT PRODUCTS GMBH (DE) 2012-05-16 — — EP disclosed
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 — — US disclosed
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 — — US disclosed
US-8030298-B2 17β-HSD1 and STS inhibitors ABBOTT PRODUCTS GMBH (DE) 2011-10-04 — — US disclosed
US-8030298-B2 17β-HSD1 and STS inhibitors ABBOTT PRODUCTS GMBH (DE) 2011-10-04 — — US disclosed
US-20110021480-A1 17-beta HSD1 and STS Inhibitors SOLVAY PHARMACEUTICALS GMBH (DE) 2011-01-27 — — US disclosed
US-20110021480-A1 17-beta HSD1 and STS Inhibitors SOLVAY PHARMACEUTICALS GMBH (DE) 2011-01-27 — — US disclosed
US-20080255075-A1 SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-16 — — US disclosed
US-20080255075-A1 SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-16 — — US disclosed
EP-1685150-B1 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARM GMBH (DE) 2008-09-03 — — EP disclosed
WO-2008065100-A1 SUBSTITUTED ESTRATRIEN DERIVATIVES AS 17BETA HSD INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2008-06-05 — — 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 (2 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-20080255075-A1 SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS HSD17B11, HSD17B1, HSD17B2 STS 33/4885HSD17B1 2/4885ESR1 113/4885
US-20110021480-A1 17-beta HSD1 and STS Inhibitors STS, HSD17B11, HSD17B1 STS 1/4885HSD17B1 3/4885ESR1 206/4885

“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.

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