SCHEMBL3726524

SCHEMBL3726524

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNN4 O15554 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL18304346 0.86 CYP1A2 (0.42) PPARGPPARACYP1A2CYP2D6MAPT
SCHEMBL27485164 0.80 CYP1A2 (0.47) PPARGPPARACYP1A2CYP2D6MAPT
SCHEMBL3729769 0.76 CYP2C19 (0.42) PPARGPPARACYP1A2CYP2D6MAPT
SCHEMBL7507490 0.76 CYP1A2 (0.43) PPARGPPARACYP1A2CYP2D6MAPT
SCHEMBL4973968 0.75 PPARG (0.39) PPARGPPARACYP1A2CYP2D6MAPT
SCHEMBL22722985 0.74 KCNN4 (0.50) PPARGPPARACYP1A2CYP2D6MAPT
SCHEMBL5046100 0.74 KCNN4 (0.50) PPARGPPARACYP1A2CYP2D6MAPT
SCHEMBL2517938 0.74 KCNN4 (0.50) PPARGPPARACYP1A2CYP2D6MAPT
SCHEMBL891406 0.74 ALDH1A1 (0.56) PPARGPPARACYP1A2CYP2D6MAPT
SCHEMBL4759816 0.73 CYP2C19 (0.40) PPARGPPARACYP1A2CYP2D6MAPT

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 PPARG 542/4885PPARA 458/4885CYP1A2 2894/4885

“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.