SCHEMBL3416675

SCHEMBL3416675

CCOc1ccc(-c2cccc(C(=O)O)c2)cc1CNC(=O)c1sc(-c2ccc(C)cc2)nc1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
PPARA Q07869 9/20 0.49
PPARD Q03181 4/20 0.49
PPARG P37231 2/20 0.49
NR1H4 Q96RI1 1/20 0.47
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL3416151 0.93 PPARD (0.51) HPGDNPC1PPARAPPARDPPARG
SCHEMBL3415767 0.91 PPARA (0.60) HPGDNPC1PPARAPPARDPPARG
SCHEMBL3410503 0.89 PPARA (0.49) HPGDNPC1PPARAPPARDPPARG
SCHEMBL3413580 0.87 PPARA (0.47) HPGDNPC1PPARAPPARDPPARG
SCHEMBL3413742 0.84 PPARA (0.58) HPGDNPC1PPARAPPARDPPARG
SCHEMBL3416428 0.83 HPGD (0.52) HPGDNPC1PPARAPPARDPPARG
SCHEMBL3415741 0.81 PPARA (0.51) HPGDNPC1PPARAPPARDPPARG
SCHEMBL3416070 0.80 PPARA (0.47) HPGDNPC1PPARAPPARDPPARG
SCHEMBL3416579 0.80 PPARD (0.52) HPGDNPC1PPARAPPARDPPARG
SCHEMBL3419218 0.80 PPARA (0.51) HPGDNPC1PPARAPPARDPPARG

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 HPGD 2617/4885NPC1 424/4885PPARA 130/4885

“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.