SCHEMBL3411972

SCHEMBL3411972

COC(=O)c1cc(-c2ccc(O)c(CNC(=O)OC(C)(C)C)c2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
EGFR P00533 5/20 0.42
BDKRB1 P46663 6/20 0.38
HPN P05981 1/20 0.38
NOX4 Q9NPH5 1/20 0.37
KDM4A O75164 1/20 0.37
ATR Q13535 1/20 0.37
GRM2 Q14416 1/20 0.37
SERPINE1 P05121 1/20 0.36
KCNA5 P22460 1/20 0.36

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
SCHEMBL3417361 0.90 HDAC1 (0.46) HDAC1EGFRHPNKDM4AGRM2
SCHEMBL3416502 0.89 HDAC1 (0.44) HDAC1EGFRHPNNOX4KDM4A
SCHEMBL3414359 0.88 BDKRB1 (0.40) BDKRB1
SCHEMBL3415702 0.83 PPARD (0.47)
SCHEMBL3415342 0.81 ERN1 (0.52) HDAC1EGFRHPN
SCHEMBL6629351 0.80 ROCK2 (0.46) KDM4AATRGRM2
SCHEMBL18719609 0.79 CA12 (0.42) HDAC1EGFRBDKRB1HPNKDM4A
SCHEMBL3413999 0.78 EGFR (0.41) HDAC1EGFRKDM4AATRKCNA5
SCHEMBL23735207 0.78 EGFR (0.44) HDAC1EGFRKDM4AGRM2KCNA5
SCHEMBL3415566 0.76 PPARD (0.40) HDAC1KDM4AATRKCNA5

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 227/4885EGFR 814/4885BDKRB1 298/4885

“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.