SCHEMBL3418707

SCHEMBL3418707

COc1ccc(-c2csc(C(=O)O)c2)cc1CNC(=O)c1ccc(Cl)cc1F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.45
PPARA Q07869 9/20 0.45
PPARG P37231 5/20 0.45
ALAD P13716 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL3418780 0.91 ALAD (0.46) PPARDPPARAPPARGALADTP53
SCHEMBL3418687 0.89 PPARD (0.54) PPARDPPARAPPARG
SCHEMBL3412947 0.87 PPARD (0.61) PPARDPPARAPPARG
SCHEMBL13460752 0.87 TP53 (0.46) PPARDPPARAPPARGTP53MAPT
SCHEMBL3413917 0.86 PPARD (0.51) PPARDPPARAPPARGLMNATSHR
SCHEMBL3415779 0.86 PPARD (0.51) PPARDPPARAPPARGLMNATSHR
SCHEMBL3413822 0.83 PPARD (0.61) PPARDPPARAPPARGMAPTLMNA
SCHEMBL3416677 0.82 PPARD (0.49) PPARDPPARAPPARGLMNATSHR
SCHEMBL3418970 0.81 PPARD (0.54) PPARDPPARAPPARGLMNATSHR
SCHEMBL3416284 0.81 PPARA (0.44) PPARDPPARAPPARGALADTP53

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.