SCHEMBL3418656

SCHEMBL3418656

COc1ccc(-c2nc(C)c(C(=O)O)s2)cc1CNC(=O)c1sc(-c2ccc(C)cc2)nc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
RAB9A P51151 2/20 0.58
GAA P10253 2/20 0.58
PPARA Q07869 7/20 0.52
NPC1 O15118 2/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 1/20 0.47
PPARD Q03181 3/20 0.46
PPARG P37231 1/20 0.46
XDH P47989 2/20 0.46
TARBP2 Q15633 2/20 0.46
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46
PGR P06401 1/20 0.46
CHRM1 P11229 1/20 0.46
PDE4A P27815 1/20 0.46
BLVRB P30043 1/20 0.46

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
SCHEMBL3419218 0.92 PPARA (0.51) KDM4ERAB9AGAAPPARANPC1
SCHEMBL3417120 0.90 PPARA (0.49) KDM4ERAB9AGAAPPARANPC1
SCHEMBL3415767 0.89 PPARA (0.60) KDM4ERAB9AGAAPPARANPC1
SCHEMBL13433438 0.88 HPGD (0.48) KDM4ERAB9AGAAPPARANPC1
SCHEMBL13433239 0.88 PPARA (0.47) KDM4ERAB9AGAAPPARANPC1
SCHEMBL3414254 0.87 PPARD (0.47) KDM4ERAB9AGAAPPARANPC1
SCHEMBL13460823 0.87 PPARA (0.47) KDM4ERAB9AGAAPPARANPC1
SCHEMBL3416070 0.86 PPARA (0.47) KDM4ERAB9AGAAPPARANPC1
SCHEMBL3416639 0.86 XDH (0.47) KDM4ERAB9AGAAPPARANPC1
SCHEMBL3418419 0.86 PPARA (0.54) KDM4ERAB9AGAAPPARANPC1

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 KDM4E 3724/4885RAB9A 3699/4885GAA 1991/4885

“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.