SCHEMBL3410592

SCHEMBL3410592

COC(=O)Cc1cccc(-c2ccc(OC)c(CN)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.50
SLC7A5 Q01650 1/20 0.46
SYK P43405 1/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
ACLY P53396 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
F11 P03951 1/20 0.42
KLKB1 P03952 1/20 0.42
F7 P08709 1/20 0.42
TPSB2 P20231 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42

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 0.89 CFD (0.47) CFDSLC7A5SYKJAK2JAK3
SCHEMBL13460987 0.88 SYK (0.45) CFDSLC7A5SYKJAK2JAK3
SCHEMBL13460907 0.87 SYK (0.44) CFDSLC7A5SYKJAK2JAK3
SCHEMBL3411998 0.87 PTPN11 (0.47) CFDSLC7A5SYKPLGPLAU
SCHEMBL13433492 0.86 CYP4F2 (0.48) CFDSLC7A5SYKJAK2JAK3
SCHEMBL13433575 0.83 GAA (0.52) CFDSLC7A5SYKJAK2JAK3
SCHEMBL13433590 0.81 NR1H4 (0.51) CFDSLC7A5SYKJAK2JAK3
SCHEMBL3416367 0.79 PPARG (0.44) SYKACLYALDH1A1MTNR1AMTNR1B
SCHEMBL13433574 0.78 SMPD1 (0.58) CYP3A4ALDH1A1
SCHEMBL1929079 0.77 SLC7A5 (0.57) CFDSLC7A5SYKALDH1A1GAA

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 CFD 1458/4885SLC7A5 665/4885SYK 1793/4885

“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.