SCHEMBL3413992

SCHEMBL3413992

COc1ccc(-c2ccc(OC)c(C(=O)O)c2)c(CNC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.54
PPARD Q03181 4/20 0.54
MAPT P10636 6/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 2/20 0.53
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PPARG P37231 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
XDH P47989 1/20 0.44
THRB P10828 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
SCHEMBL3416911 0.94 PPARA (0.51) PPARAPPARDMAPTLMNATP53
SCHEMBL3418668 0.92 PPARA (0.55) PPARAPPARDMAPTLMNATP53
SCHEMBL3413268 0.91 PPARA (0.51) PPARAPPARDMAPTLMNATP53
SCHEMBL3415772 0.89 PPARA (0.53) PPARAPPARDMAPTLMNATP53
SCHEMBL3418419 0.89 PPARA (0.54) PPARAPPARDMAPTLMNATP53
SCHEMBL3419117 0.87 PPARA (0.54) PPARAPPARDMAPTLMNATP53
SCHEMBL3413821 0.84 PPARA (0.53) PPARAPPARDMAPTLMNATP53
SCHEMBL3416366 0.83 TSHR (0.45) PPARAPPARDMAPTLMNATP53
SCHEMBL3419218 0.82 PPARA (0.51) PPARAPPARDMAPTLMNAGAA
SCHEMBL3415741 0.81 PPARA (0.51) PPARAPPARDMAPTGAASMN1; SMN2

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 PPARA 130/4885PPARD 689/4885MAPT 4765/4885

“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.