SCHEMBL3413951

SCHEMBL3413951

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.51
ROCK2 O75116 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ROCK1 Q13464 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
CHRM3 P20309 2/20 0.45
MAPT P10636 1/20 0.45
PLA2G4B P0C869 1/20 0.44
PTGIR P43119 1/20 0.43
FFAR1 O14842 2/20 0.43

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
SCHEMBL13433443 0.90 PTPN11 (0.49) PTPN11ALDH1A1MEN1NPC1RAB9A
SCHEMBL3415365 0.89 KMT2A (0.51) PTPN11ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL13433434 0.88 PPARA (0.47) PTPN11ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL3417420 0.87 PTPN11 (0.43) PTPN11ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL3416645 0.86 THRA (0.47) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL13433449 0.83 PPARG (0.47) PTPN11
SCHEMBL3417224 0.82 SHMT1 (0.53) CYP3A4ALDH1A1MEN1NPC1RAB9A
SCHEMBL13433439 0.81 PTPN11 (0.50) PTPN11MEN1KMT2ATP53THRB
SCHEMBL3413552 0.80 FFAR1 (0.46) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL3416610 0.78 PPARD (0.53) PTPN11KMT2ATP53MAPT

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 838/4885ROCK2 4448/4885CYP3A4 2130/4885

“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.