SCHEMBL3416671

SCHEMBL3416671

COc1ccc(-c2cccc(C(=O)O)c2)c(CNC(=O)c2nc(-c3ccccc3)sc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
DGAT2 Q96PD7 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MMP13 P45452 2/20 0.42
AURKA O14965 1/20 0.41
EPHX2 P34913 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
SCHEMBL13433459 0.88 HPGD (0.53) RAB9ASMN1; SMN2PPARGPPARDPPARA
SCHEMBL3417421 0.86 PPARA (0.54) RAB9ASMN1; SMN2PPARGPPARDPPARA
SCHEMBL3415741 0.84 PPARA (0.51) RAB9ASMN1; SMN2PPARGPPARDPPARA
SCHEMBL3419117 0.83 PPARA (0.54) RAB9ASMN1; SMN2PPARGPPARDPPARA
SCHEMBL13433236 0.79 PPARA (0.56) RAB9ASMN1; SMN2PPARGPPARDPPARA
SCHEMBL13433235 0.76 PPARD (0.52) SMN1; SMN2PPARGPPARDPPARAKMT2A
SCHEMBL13433237 0.74 PPARG (0.54) RAB9ASMN1; SMN2PPARGPPARDPPARA
SCHEMBL3413798 0.74 MAPT (0.49) RAB9ASMN1; SMN2PPARGPPARDPPARA
SCHEMBL2998010 0.73 PTPN11 (0.54) RAB9ASMN1; SMN2GAAKMT2ANPC1
SCHEMBL3418799 0.72 PPARA (0.49) RAB9ASMN1; SMN2PPARGPPARDPPARA

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 RAB9A 3699/4885SMN1; SMN2 2879/4885PPARG 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.