SCHEMBL2426547

SCHEMBL2426547

COCOc1ccc(C(O)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CYP17A1 P05093 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FFAR1 O14842 4/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
PDE1B Q01064 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NR1I2 O75469 1/20 0.34
OGA O60502 2/20 0.34
ALDH1A1 P00352 1/20 0.33
PPARG P37231 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL24360822 0.83 FFAR1 (0.44) FFAR1GABBR2GABBR1ALDH1A1PPARG
SCHEMBL7609582 0.80 ELANE (0.43) CYP2C19FFAR1ALDH1A1AOC3
SCHEMBL2426161 0.80 GABBR2 (0.50) CYP2C19GABBR2GABBR1MEN1KMT2A
SCHEMBL15000370 0.79 LTA4H (0.47)
SCHEMBL12282315 0.79 FFAR1 (0.35) CYP17A1CYP2C9CYP2C19FFAR1ALDH1A1
SCHEMBL9742245 0.79 CYP2C9 (0.54) CYP4F2CYP4A11CYP17A1CYP2C9CYP2C19
SCHEMBL27965446 0.76 MRGPRX4 (0.40) CYP2C9CYP2C19FFAR1ALDH1A1
SCHEMBL9418033 0.76 NR5A1 (0.56)
SCHEMBL28833228 0.75 PIK3CD (0.36) CYP17A1CYP2C9CYP2C19PDE1BKMT2A
SCHEMBL22414702 0.75 CYP4F2 (0.41) CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374802-B1 KYNURENINE PRODUCTION INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2014-04-23 EP disclosed
US-8673908-B2 Kynurenine production inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-03-18 US disclosed
EP-2374802-A1 KYNURENINE PRODUCTION INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 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 (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-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYNU, KMO, IDO1 CYP4F2 403/4885CYP4A11 243/4885CYP17A1 906/4885

“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.