SCHEMBL700254

SCHEMBL700254

OCc1ccc2c(c1)OCOC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.40
CYP2D6 P10635 1/20 0.40
PDE5A O76074 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC5A2 P31639 1/20 0.36
BAD Q92934 1/20 0.35
SLC6A4 P31645 1/20 0.35
MAPT P10636 1/20 0.35
CALM1 P0DP23 2/20 0.35

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
SCHEMBL31023943 0.86 SLC5A2 (0.46) CYP3A4CYP2D6PDE5ANPC1RAB9A
SCHEMBL10845738 0.86 SLC5A2 (0.46) CYP3A4CYP2D6PDE5ANPC1RAB9A
SCHEMBL12188934 0.82 PARP1 (0.41) CYP3A4CYP2D6RAB9ATAAR1CYP1A2
SCHEMBL1721773 0.78 TAAR1 (0.33) CYP3A4CYP2D6TAAR1ALDH1A1CYP1A2
SCHEMBL6853638 0.78 CA12 (0.33) CYP3A4CYP2D6PDE5A
SCHEMBL3331065 0.76 CYP3A4 (0.55) CYP3A4RAB9AALDH1A1MAPTCALM1
SCHEMBL49914 0.75 CYP3A4 (0.65) CYP3A4CYP2D6PDE5ANPC1RAB9A
SCHEMBL29907219 0.75 CYP3A4 (0.65) CYP3A4CYP2D6PDE5ANPC1RAB9A
SCHEMBL2873266 0.75 CYP3A4 (0.65) CYP3A4CYP2D6PDE5ANPC1RAB9A
SCHEMBL29356674 0.75 CA12 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
EP-2262791-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP disclosed
EP-2260043-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-15 EP disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124746-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO disclosed
WO-2009124746-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO disclosed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO disclosed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 CYP3A4 750/4885CYP2D6 349/4885PDE5A 2056/4885
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 CYP3A4 1895/4885CYP2D6 1183/4885PDE5A 1072/4885

“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.