SCHEMBL219425

SCHEMBL219425

COc1ccc(S(=O)(=O)N(C)C[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4c5ccc(O)cc5CC[C@H]4[C@H]23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
STS P08842 8/20 0.47
ESR1 P03372 4/20 0.47
ESR2 Q92731 3/20 0.47
AKR1B10 O60218 1/20 0.47
SHBG P04278 1/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.47
SERPINA6 P08185 1/20 0.47
CYP3A4 P08684 1/20 0.47
AR P10275 1/20 0.47
CYP19A1 P11511 1/20 0.47
AKR1B1 P15121 1/20 0.47
NFKB1 P19838 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRM1 P35372 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
SCHEMBL219426 1.00 HSD17B1 (0.49) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL218081 0.90 STS (0.51) HSD17B1LMNAMAPTSTSESR1
SCHEMBL218082 0.90 STS (0.51) HSD17B1LMNAMAPTSTSESR1
SCHEMBL217881 0.90 STS (0.50) HSD17B1LMNAMAPTSTSESR1
SCHEMBL217882 0.90 STS (0.50) HSD17B1LMNAMAPTSTSESR1
SCHEMBL217811 0.89 STS (0.53) HSD17B1LMNAMAPTSTSESR1
SCHEMBL2738663 0.89 STS (0.53) HSD17B1LMNAMAPTSTSESR1
SCHEMBL218899 0.86 STS (0.51) HSD17B1LMNAMAPTSTSESR1
SCHEMBL217416 0.86 STS (0.50) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL218444 0.86 STS (0.51) HSD17B1LMNAMAPTSTSESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1685150-B1 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARM GMBH (DE) 2008-09-03 EP disclosed
EP-1685150-A2 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS Solvay Pharmaceuticals GmbH (DE) 2006-08-02 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
WO-2005047303-A2 NOVEL 17β HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-26 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-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 HSD17B1 2/4885LMNA 2693/4885MAPT 3025/4885

“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.