SCHEMBL10116722

SCHEMBL10116722

C[C@]12CCC3c4ccc(OSOON)cc4CCC3C1CCC2=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.70
MAPT P10636 2/20 0.70
HSD17B1 P14061 2/20 0.70
RECQL P46063 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
STS P08842 12/20 0.68
CA1 P00915 3/20 0.68
CA2 P00918 3/20 0.68
CA9 Q16790 3/20 0.68
ESR1 P03372 2/20 0.68
ESR2 Q92731 2/20 0.68
CA4 P22748 1/20 0.68
CA6 P23280 1/20 0.68
KDM4E B2RXH2 2/20 0.66
ABCC4 O15439 1/20 0.66
CYP2C9 P11712 1/20 0.66
ABCC1 P33527 1/20 0.66
SLCO1B1 Q9Y6L6 1/20 0.66
ALDH1A1 P00352 1/20 0.62
CYP3A4 P08684 3/20 0.62

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
SCHEMBL14410312 0.90 HSD17B1 (0.70) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL10116706 0.90 HSD17B1 (0.70) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL20689748 0.88 HSD17B1 (0.76) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL15326183 0.88 HSD17B1 (0.76) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL13413314 0.86 HSD17B1 (0.81) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL11649226 0.86 HSD17B1 (0.81) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL22475387 0.85 HSD17B1 (0.76) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL6684274 0.84 HSD17B1 (0.84) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL13168702 0.83 ESR1 (0.62) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL14375467 0.83 STS (0.71) LMNAMAPTHSD17B1RECQLSMN1; SMN2

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
US-8124614-B2 Steroidal compounds for inhibiting steroid sulphatase STERIX LIMITED (GB) 2012-02-28 US disclosed
US-8003783-B2 Steroid 17 beta -hydroxysteroid dehydrogenase inhibitors substituted with one or more oxime groups, especially aromatase inhibitors used in the treatment of endocrine-dependent tumors, especially breast cancer STERIX LIMITED (GB) 2011-08-23 US disclosed
US-7968561-B2 Steroidal compounds as steroid sulphatase inhibitors STERIX LIMITED (GB) 2011-06-28 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090182000-A1 STEROIDAL COMPOUNDS AS STEROID SULPHATASE INHIBITORS RICHTER GEDEON NYRT. (HU) 2009-07-16 US disclosed
US-20080312266-A1 Steroidal Compounds For Inhibiting Steroid Sulphatase RICHTER GEDEON NYRT. (HU) 2008-12-18 US disclosed
US-7276513-B2 Steroidal compounds for inhibiting steroid sulphatase STERIX, LTD. (GB) 2007-10-02 US disclosed
US-20070105886-A1 Steroidal compounds for inhibiting steroid sulphatase RICHTER GEDEON NYRT. (HU) 2007-05-10 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 (4 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-20080312266-A1 Steroidal Compounds For Inhibiting Steroid Sulphatase STS, NR5A1, CYP21A2 LMNA 4488/4885MAPT 4800/4885HSD17B1 11/4885
US-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 LMNA 1964/4885MAPT 929/4885HSD17B1 4/4885
US-20070105886-A1 Steroidal compounds for inhibiting steroid sulphatase STS, NR5A1, CYP21A2 LMNA 4488/4885MAPT 4800/4885HSD17B1 11/4885
US-20090182000-A1 STEROIDAL COMPOUNDS AS STEROID SULPHATASE INHIBITORS STS, SULT1E1, CYP17A1 LMNA 4248/4885MAPT 4655/4885HSD17B1 14/4885

“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.