SCHEMBL3411998

SCHEMBL3411998

CCCOc1ccc(-c2cccc(CC(=O)OC)c2)cc1CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.47
CFD P00746 3/20 0.46
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
F11 P03951 1/20 0.43
KLKB1 P03952 1/20 0.43
F7 P08709 1/20 0.43
TPSB2 P20231 1/20 0.43
SYK P43405 1/20 0.43
SLC7A5 Q01650 1/20 0.42
PPARG P37231 4/20 0.41
SLC6A9 P48067 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL3413777 0.91 CFD (0.47) PTPN11CFDNOS3NOS1PLG
SCHEMBL13433495 0.88 PTPN11 (0.47) PTPN11CFDPLGPLAUF11
SCHEMBL3410592 0.87 CFD (0.50) CFDPLGPLAUF11KLKB1
SCHEMBL3413160 0.81 PPARG (0.44) PTPN11SYKPPARGNPSR1
SCHEMBL3416744 0.76 PTPN11 (0.59) PTPN11CFDPLGPLAUF11
SCHEMBL13460987 0.76 SYK (0.45) CFDSYKSLC7A5PPARGMAPT
SCHEMBL13460907 0.75 SYK (0.44) PTPN11CFDSYKSLC7A5PPARG
SCHEMBL13433492 0.74 CYP4F2 (0.48) CFDSYKSLC7A5PPARGKMT2A
SCHEMBL14610446 0.74 PTPN11 (0.54) PTPN11CFDPLGPLAUF11
SCHEMBL28588436 0.73 KMT2A (0.55) SLC7A5MAPTALDH1A1KDM4EMEN1

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 PTPN11 838/4885CFD 1458/4885NOS3 1387/4885

“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.