SCHEMBL3419024

SCHEMBL3419024

O=C(O)c1cccc(-c2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3F)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 5/20 0.64
▸ PPARA Q07869 3/20 0.64
▸ PPARG P37231 1/20 0.52
▸ NR1H4 Q96RI1 3/20 0.52
▸ MLYCD O95822 1/20 0.52
▸ EPHX2 P34913 3/20 0.51
▸ SORT1 Q99523 2/20 0.51
▸ CHRM3 P20309 2/20 0.50
▸ MAPK14 Q16539 1/20 0.50
▸ FNTA P49354 1/20 0.48
▸ FNTB P49356 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ PLA2G1B P04054 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48

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
SCHEMBL3417343 0.88 PPARD (0.53) PPARDPPARAPPARGMLYCDSORT1
SCHEMBL3418765 0.85 PPARD (0.69) PPARDPPARAPPARGEPHX2LMNA
SCHEMBL13460943 0.84 PPARD (0.49) PPARDPPARAPPARGMLYCDSORT1
SCHEMBL3415075 0.82 PPARD (0.79) PPARDPPARAPPARGEPHX2
SCHEMBL3416080 0.81 PPARD (0.85) PPARDPPARAPPARG
SCHEMBL3416277 0.80 PPARD (0.76) PPARDPPARAPPARGEPHX2
SCHEMBL3415859 0.79 PPARD (0.92) PPARDPPARAPPARG
SCHEMBL3416135 0.79 PPARD (0.64) PPARDPPARAPPARGEPHX2
SCHEMBL3413893 0.79 PPARD (0.59) PPARDPPARAPPARGEPHX2
SCHEMBL3418870 0.79 PPARD (0.69) PPARDPPARAPPARGEPHX2

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 130/4885PPARG 238/4885

“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.

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