SCHEMBL2174850

SCHEMBL2174850

CCOC(=O)CCc1cccc(CN)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.55
CYP4A11 Q02928 3/20 0.55
TDP1 Q9NUW8 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
CYP4Z1 Q86W10 1/20 0.45
SYK P43405 2/20 0.44
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
APP P05067 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
P2RY12 Q9H244 1/20 0.43
CYP1A2 P05177 1/20 0.43
ABCB1 P08183 1/20 0.43

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
Hydrochloric Acid SCHEMBL6982286 0.98 CYP4F2 (0.54) CYP4F2CYP4A11TDP1LOXL2PPARG
SCHEMBL4425984 0.92 CYP4F2 (0.64) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL29573139 0.90 CYP4F2 (0.52) CYP4F2CYP4A11TDP1LOXL2PPARG
SCHEMBL19078969 0.90 CYP4F2 (0.52) CYP4F2CYP4A11TDP1LOXL2PPARG
SCHEMBL27608088 0.89 CYP4F2 (0.46) CYP4F2CYP4A11TDP1LOXL2PPARG
SCHEMBL13104077 0.87 CYP4F2 (0.58) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL6881479 0.87 CYP4F2 (0.72) CYP4F2CYP4A11TDP1LOXL2CYP4Z1
SCHEMBL10725552 0.86 CYP4F2 (0.61) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL22070553 0.86 CYP4F2 (0.76) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL3175580 0.86 CYP4F2 (0.57) CYP4F2CYP4A11TDP1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050446-B1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-05-07 EP disclosed
EP-2050446-B1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-05-07 EP disclosed
US-7973078-B2 Sulfonamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-05 US disclosed
US-7973078-B2 Sulfonamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-05 US disclosed
US-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-12-17 US disclosed
US-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-12-17 US disclosed
EP-2050446-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-04-22 EP disclosed
EP-2050446-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-04-22 EP disclosed
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 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-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF PTGER1, CYSLTR1, PTGER2 CYP4F2 4382/4885CYP4A11 2072/4885TDP1 4417/4885
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 CYP4F2 760/4885CYP4A11 71/4885TDP1 3755/4885

“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.