SCHEMBL3414162

SCHEMBL3414162

CCCOc1ccc(C(=O)NCc2cc(-c3cccc(C(=O)O)c3)ccn2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.48
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.46
PTPN11 Q06124 2/20 0.46
ROCK2 O75116 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ROCK1 Q13464 1/20 0.45
HPGD P15428 3/20 0.45
RAB9A P51151 1/20 0.45
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
TP53 P04637 1/20 0.44
FABP1 P07148 1/20 0.44
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 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
SCHEMBL3415365 0.87 KMT2A (0.51) NR1H4KMT2AMAPTPTPN11ROCK2
SCHEMBL13460949 0.86 HPGD (0.44) KMT2AMAPTROCK2CYP3A4CYP2D6
SCHEMBL3416610 0.85 PPARD (0.53) NR1H4KMT2AMAPTPTPN11PPARD
SCHEMBL3413844 0.85 HPGD (0.61) KMT2AHPGDRAB9APPARAALDH1A1
SCHEMBL3415267 0.84 PDE4A (0.43) NR1H4KMT2AHPGDRAB9AALDH1A1
SCHEMBL3417430 0.84 PPARD (0.52) NR1H4KMT2AMAPTPTPN11PPARD
SCHEMBL3418596 0.84 PPARD (0.63) NR1H4KMT2AMAPTPTPN11PPARD
SCHEMBL3415544 0.82 PPARD (0.47) NR1H4KMT2AMAPTPTPN11PPARD
SCHEMBL3414075 0.82 PPARD (0.61) NR1H4KMT2AMAPTPTPN11PPARD
SCHEMBL3413583 0.82 PPARD (0.59) NR1H4KMT2AMAPTPTPN11PPARD

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 NR1H4 85/4885KMT2A 2276/4885MAPT 4765/4885

“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.