SCHEMBL3413325

SCHEMBL3413325

COc1ccc(-c2cccc(/C=C/C(=O)O)c2)cc1CNC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
RECQL P46063 1/20 0.44
POLB P06746 2/20 0.41
SNCA P37840 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL3413329 1.00 PDCD1 (0.45) PDCD1CD274KDM4EALDH1A1SMN1; SMN2
SCHEMBL13433343 0.89 FDPS (0.47) PDCD1CD274KDM4EALDH1A1HPGD
SCHEMBL3413605 0.88 PPARG (0.45) PDCD1CD274KDM4EALDH1A1SMN1; SMN2
SCHEMBL3410598 0.84 PSEN1 (0.45) PDCD1CD274KDM4EPPARGPPARD
SCHEMBL3410602 0.84 PSEN1 (0.45) PDCD1CD274KDM4EPPARGPPARD
SCHEMBL3415307 0.82 PPARD (0.63) KDM4EALDH1A1SMN1; SMN2HPGDMAPK1
SCHEMBL3418629 0.80 PPARA (0.45) PPARGPPARDPPARAPOLBMEN1
SCHEMBL3416346 0.80 PPARG (0.53) KDM4EALDH1A1SMN1; SMN2HPGDMAPK1
SCHEMBL13433348 0.79 EPHX2 (0.48) PDCD1CD274KDM4EALDH1A1PPARG
SCHEMBL8985043 0.79 MMP1 (0.51) KDM4EALDH1A1SMN1; SMN2CA12CA1

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 3 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-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 PDCD1 4845/4885CD274 4788/4885KDM4E 3724/4885

“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.