SCHEMBL216602

SCHEMBL216602

C[C@]12CCC3c4ccc(O)cc4CCC3C1[C@@H](CNS(=O)(=O)c1ccc(F)cc1)CC2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 17/20 0.58
ESR1 P03372 3/20 0.49
HSD17B1 P14061 2/20 0.49
ESR2 Q92731 2/20 0.49
AKR1B10 O60218 1/20 0.49
LMNA P02545 1/20 0.49
SHBG P04278 1/20 0.49
CYP1A2 P05177 1/20 0.49
PGR P06401 1/20 0.49
SERPINA6 P08185 1/20 0.49
CYP3A4 P08684 1/20 0.49
AR P10275 1/20 0.49
MAPT P10636 1/20 0.49
CYP19A1 P11511 1/20 0.49
AKR1B1 P15121 1/20 0.49
NFKB1 P19838 1/20 0.49
SLC6A4 P31645 1/20 0.49
OPRM1 P35372 1/20 0.49
SNCA P37840 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL216601 1.00 STS (0.58) STSESR1HSD17B1ESR2AKR1B10
SCHEMBL217497 0.91 STS (0.56) STSESR1HSD17B1ESR2AKR1B10
SCHEMBL217498 0.91 STS (0.56) STSESR1HSD17B1ESR2AKR1B10
SCHEMBL2738660 0.90 STS (0.51) STSESR1HSD17B1ESR2AKR1B10
SCHEMBL217416 0.90 STS (0.50) STSESR1HSD17B1ESR2AKR1B10
SCHEMBL217415 0.90 STS (0.50) STSESR1HSD17B1ESR2AKR1B10
SCHEMBL10270210 0.90 STS (0.48) STSESR1HSD17B1ESR2AKR1B10
SCHEMBL2738658 0.88 STS (0.60) STSESR1HSD17B1ESR2AKR1B10
SCHEMBL219299 0.88 STS (0.60) STSESR1HSD17B1ESR2AKR1B10
SCHEMBL219134 0.87 STS (0.58) STSESR1HSD17B1ESR2AKR1B10

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-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 US claimed
EP-1685150-B1 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARM GMBH (DE) 2008-09-03 EP claimed
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 US disclosed
EP-1685150-B1 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARM GMBH (DE) 2008-09-03 EP disclosed
US-20050192263-A1 3,15-substituted estrone compounds; treatment of steroid hormone dependent diseases such as breast cancer, colon cancer, endometriosis, benign prostatic hyperplasia SOLVAY PHARMACEUTICALS GMBH (DE) 2005-09-01 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 (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-20050192263-A1 3,15-substituted estrone compounds; treatment of steroid hormone dependent diseases such as breast cancer, colon cancer, endometriosis, benign prostatic hyperplasia HSD17B11, HSD17B1, HSD17B3 STS 42/4885ESR1 28/4885HSD17B1 2/4885

“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.