SCHEMBL3417366

SCHEMBL3417366

CCCOc1ccc(C(=O)NCc2cc(-c3cccc(C(=O)O)c3)cc3c2OCC3)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 3/20 0.45
▸ PPARA Q07869 3/20 0.45
▸ NR1H4 Q96RI1 5/20 0.42
▸ PTPN11 Q06124 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ FABP1 P07148 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ FABP4 P15090 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ACLY P53396 1/20 0.37
▸ EPHX2 P34913 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
SCHEMBL3416704 0.89 PPARA (0.41) PPARDPPARANR1H4KMT2APPARG
SCHEMBL13460887 0.88 TP53 (0.37) PPARDPPARAKMT2AMAPTTP53
SCHEMBL13433330 0.86 PPARA (0.46) PPARDPPARAPPARGFABP4NPC1
SCHEMBL3416610 0.84 PPARD (0.53) PPARDPPARANR1H4PTPN11KMT2A
SCHEMBL3417430 0.83 PPARD (0.52) PPARDPPARANR1H4PTPN11KMT2A
SCHEMBL3418596 0.83 PPARD (0.63) PPARDPPARANR1H4PTPN11KMT2A
SCHEMBL3414075 0.81 PPARD (0.61) PPARDPPARANR1H4PTPN11KMT2A
SCHEMBL3413583 0.81 PPARD (0.59) PPARDPPARANR1H4PTPN11KMT2A
SCHEMBL3415365 0.81 KMT2A (0.51) PPARDPPARANR1H4PTPN11KMT2A
SCHEMBL3415544 0.80 PPARD (0.47) PPARDPPARANR1H4PTPN11KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 — — US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 — — EP 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR PPARD 689/4885PPARA 130/4885NR1H4 85/4885

“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.

Send feedback