SCHEMBL3726527

SCHEMBL3726527

CC(OCC(F)(F)F)(C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 5/20 0.39
TSHR P16473 1/20 0.39
KCNN4 O15554 1/20 0.38
TACR1 P25103 1/20 0.38
FABP7 O15540 1/20 0.38
CYP1A2 P05177 2/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37

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
SCHEMBL9245013 0.83 CYP2C19 (0.42) CYP2C19HIF1APPARGPPARAKMT2A
SCHEMBL3702043 0.80 PPARG (0.46) CYP2C19HIF1APPARGPPARAKMT2A
SCHEMBL1670311 0.80 CYP2C19 (0.46) CYP2C19HIF1APPARGPPARAKMT2A
SCHEMBL6898466 0.80 CYP2C19 (0.46) CYP2C19HIF1APPARGPPARAKMT2A
SCHEMBL4298978 0.79 LMNA (0.46) CYP2C19HIF1APPARGPPARAKMT2A
SCHEMBL31495940 0.77 KMT2A (0.42) CYP2C19HIF1APPARGPPARAKMT2A
SCHEMBL5322365 0.76 CYP2C19 (0.42) CYP2C19HIF1APPARGPPARAKMT2A
SCHEMBL8566517 0.76 ALDH1A1 (0.46) CYP2C19HIF1AKMT2AALDH1A1TSHR
SCHEMBL27663466 0.75 TSHR (0.45) CYP2C19HIF1APPARGPPARAKMT2A
SCHEMBL22722985 0.74 KCNN4 (0.50) CYP2C19HIF1APPARGPPARAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 CYP2C19 2494/4885HIF1A 216/4885PPARG 542/4885

“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.