SCHEMBL3413751

SCHEMBL3413751

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
GLS O94925 3/20 0.42
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
SYK P43405 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
HPN P05981 1/20 0.39
EGFR P00533 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4A O75164 1/20 0.38
NQO2 P16083 1/20 0.38

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
SCHEMBL3416367 0.88 PPARG (0.44) HDAC1GLSCTSBCTSSCTSK
SCHEMBL3416527 0.87 GLS (0.52) HDAC1GLSCTSBCTSSCTSK
SCHEMBL2986153 0.87 ALDH1A1 (0.51) HDAC1GLSALDH1A1GAAGFER
SCHEMBL3413160 0.84 PPARG (0.44) HDAC1GLSCTSBCTSSCTSK
SCHEMBL3410533 0.83 KCNA5 (0.50) HDAC1GLSCTSBCTSSCTSK
SCHEMBL3415342 0.82 ERN1 (0.52) HDAC1HPNEGFRMAPK1
SCHEMBL8786913 0.81 GLS (0.57) GLSBRD4CREBBPKDM4ASLC7A5
SCHEMBL3415235 0.81 SYK (0.42) HDAC1GLSCTSBCTSSCTSK
SCHEMBL3416093 0.81 HDAC1 (0.54) HDAC1ALDH1A1GAAHPNNR1H2
SCHEMBL3416895 0.80 MTNR1A (0.44) GLSGFERBRD4CREBBP

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 HDAC1 227/4885GLS 96/4885CTSB 2599/4885

“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.