SCHEMBL3418793

SCHEMBL3418793

COc1ccc(-c2cccc(CC(=O)O)c2)cc1/C(C)=N/OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
S1PR1 P21453 1/20 0.47
PPARD Q03181 3/20 0.46
RXRA P19793 3/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
PTGDR2 Q9Y5Y4 9/20 0.45
TBXA2R P21731 2/20 0.44
PTGDR Q13258 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
PTGIR P43119 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43

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
SCHEMBL3418794 1.00 PPARG (0.47) PPARGPPARAS1PR1PPARDRXRA
SCHEMBL3416833 0.93 RXRA (0.46) PPARAPPARDRXRANR1H2NR1H3
SCHEMBL3416830 0.93 RXRA (0.46) PPARAPPARDRXRANR1H2NR1H3
SCHEMBL3413349 0.88 NR1H4 (0.48) PPARGPPARAS1PR1NR1H4PTGDR2
SCHEMBL3413345 0.88 NR1H4 (0.48) PPARGPPARAS1PR1NR1H4PTGDR2
SCHEMBL3419326 0.85 S1PR1 (0.63) PPARGPPARAS1PR1PPARDRXRA
SCHEMBL3419327 0.85 S1PR1 (0.63) PPARGPPARAS1PR1PPARDRXRA
SCHEMBL3416957 0.85 NR1H4 (0.46) PPARGPPARAPPARDNR1H4PTGDR2
SCHEMBL3416959 0.85 NR1H4 (0.46) PPARGPPARAPPARDNR1H4PTGDR2
SCHEMBL3413361 0.79 NR1H4 (0.54) PPARDNR1H4PTPN11

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 5 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-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 PPARG 238/4885PPARA 130/4885S1PR1 1139/4885

“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.