SCHEMBL3109102

SCHEMBL3109102

COc1cc(OCc2ccccc2)ccc1S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
AR P10275 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
TNF P01375 1/20 0.48
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
ALOX5 P09917 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PDGFRB P09619 1/20 0.46

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
SCHEMBL8665563 0.87 MAOB (0.51) MAOBARSMN1; SMN2NPC1HPGD
SCHEMBL7353198 0.87 MAOB (0.51) MAOBARSMN1; SMN2NPC1HPGD
SCHEMBL8663594 0.86 MAOB (0.50) MAOBARSMN1; SMN2NPC1HPGD
Potassium Ion SCHEMBL8663591 0.86 MAOB (0.50) MAOBARSMN1; SMN2NPC1HPGD
SCHEMBL18306480 0.79 NPC1 (0.52) MAOBARSMN1; SMN2NPC1HPGD
SCHEMBL12473744 0.79 MAOB (0.58) MAOBSMN1; SMN2RAB9AALOX5L3MBTL1
SCHEMBL12473745 0.79 MAOB (0.58) MAOBSMN1; SMN2RAB9AALOX5L3MBTL1
SCHEMBL18623122 0.79 MAOB (0.62) MAOBSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL2090976 0.79 MAOB (0.62) MAOBSMN1; SMN2ALOX5L3MBTL1PDGFRB
SCHEMBL2719702 0.78 CA12 (0.54) SMN1; SMN2HPGDCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1530470-B9 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP LILLY CO ELI (US) 2010-04-07 EP disclosed
US-7585977-B2 Selective estrogen receptor modulators containing a phenylsulfonyl group ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
EP-1530470-B1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP LILLY CO ELI (US) 2009-06-10 EP disclosed
US-20080214612-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP DALLY ROBERT DEAN 2008-09-04 US disclosed
US-7399867-B2 Selective estrogen receptor modulators containing a phenylsulfonyl group ELI LILLY AND COMPANY (US) 2008-07-15 US disclosed
EP-1782810-A2 Selective estrogen receptor modulators containing a phenylsulfonyl group Eli Lilly & Company (US) 2007-05-09 EP disclosed
US-20060183736-A1 Selective estrogen receptor modulators containing a phenylsulfonyl group ELILILLY AND COMPANY 2006-08-17 US disclosed
EP-1530470-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP ELI LILLY AND COMPANY (US) 2005-05-18 EP disclosed
WO-2004009086-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP ELI LILLY AND COMPANY (US) 2004-01-29 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-20080214612-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP GPER1, ESR2, ESR1 MAOB 1455/4885AR 34/4885SMN1; SMN2 4010/4885
US-20060183736-A1 Selective estrogen receptor modulators containing a phenylsulfonyl group GPER1, ESR2, ESR1 MAOB 1455/4885AR 34/4885SMN1; SMN2 4010/4885

“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.