SCHEMBL2540485

SCHEMBL2540485

COC(=O)C(=O)Nc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccc(C(C)(C)C)cc1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
SERPINE1 P05121 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
PPARD Q03181 4/20 0.43
CACNA1H O95180 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
NR4A2 P43354 1/20 0.40
VCP P55072 1/20 0.40
NR1I2 O75469 1/20 0.40
CYP2C9 P11712 1/20 0.39
IDO1 P14902 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
XDH P47989 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL2533885 0.99 EPHX2 (0.47) EPHX2NR1H4SERPINE1TRPV1PPARD
SCHEMBL2540994 0.92 SERPINE1 (0.48) EPHX2NR1H4SERPINE1TRPV1PPARD
SCHEMBL3865020 0.91 SERPINE1 (0.49) EPHX2NR1H4SERPINE1TRPV1PPARD
SCHEMBL2540995 0.90 EPHX2 (0.46) EPHX2NR1H4SERPINE1TRPV1PPARD
SCHEMBL13581072 0.83 EPHX2 (0.50) EPHX2NR1H4SERPINE1TRPV1PPARD
SCHEMBL2532437 0.81 EPHX2 (0.44) EPHX2NR1H4SERPINE1TRPV1PPARD
SCHEMBL12890144 0.81 ABL1 (0.45) CYP2C9IDO1NPC1RAB9A
SCHEMBL1241507 0.81 NR1I2 (0.45) PPARDVCPNR1I2
SCHEMBL1241762 0.81 MCHR1 (0.45) PPARDNR1I2CYP2C9IDO1
SCHEMBL12952782 0.79 BRD4 (0.52) MRGPRX4RXRARXRBNPC1RAB9A

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-8044236-B2 Inhibitors against plasminogen activator inhibitor-1 (PAI-1); anticoagulants; 2-(aryl or aralkyloxy-)-5-(aryl)phenyl}acetic acid (or derivatives of propionic acid, propenoic acid, N-oxamic acid or 1H-tetrazol-5-yl); occlusion, stenosis; low molecular weight; gene expression inhibition INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-10-25 US disclosed
EP-2080751-A1 CARBOXYLIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-07-22 EP disclosed
US-20080275116-A1 Carboxilic acid derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-11-06 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-20080275116-A1 Carboxilic acid derivatives SERPINE1, CTRL, SERPINC1 EPHX2 2193/4885NR1H4 2697/4885SERPINE1 1/4885

“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.