SCHEMBL3415365

SCHEMBL3415365

CCCOc1ccc(C(=O)NCc2cccc(-c3cccc(C(=O)O)c3)c2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
NR1H4 Q96RI1 4/20 0.51
ROCK2 O75116 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
ROCK1 Q13464 1/20 0.50
MAPT P10636 1/20 0.48
PTPN11 Q06124 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
FABP1 P07148 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
CHRM3 P20309 2/20 0.45

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
SCHEMBL3413951 0.89 PTPN11 (0.51) KMT2AROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL3416610 0.89 PPARD (0.53) KMT2ANR1H4MAPTPTPN11TP53
SCHEMBL3414162 0.87 NR1H4 (0.48) KMT2ANR1H4ROCK2CYP3A4CYP2D6
SCHEMBL3417430 0.87 PPARD (0.52) KMT2ANR1H4MAPTPTPN11TP53
SCHEMBL3418596 0.87 PPARD (0.63) KMT2ANR1H4MAPTPTPN11PPARD
SCHEMBL3413583 0.85 PPARD (0.59) KMT2ANR1H4MAPTPTPN11PPARD
SCHEMBL3414075 0.85 PPARD (0.61) KMT2ANR1H4MAPTPTPN11PPARD
SCHEMBL3415544 0.84 PPARD (0.47) KMT2ANR1H4MAPTPTPN11TP53
SCHEMBL3413568 0.83 PTPN11 (0.51) KMT2ANR1H4MAPTPTPN11TP53
SCHEMBL3418831 0.83 PPARD (0.55) KMT2ANR1H4MAPTPTPN11TP53

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 KMT2A 2276/4885NR1H4 85/4885ROCK2 4448/4885

“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.