SCHEMBL3414359

SCHEMBL3414359

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
KMT2A Q03164 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
SCHEMBL3413999 0.91 EGFR (0.41) ROCK2ROCK1PPARDPPARAPPARG
SCHEMBL3415566 0.89 PPARD (0.40) PPARDPPARAPPARGTRPV1
SCHEMBL3415702 0.89 PPARD (0.47) PPARDPPARAPPARG
SCHEMBL3411972 0.88 HDAC1 (0.43) BDKRB1
SCHEMBL3414183 0.87 LMNA (0.43) ROCK2ROCK1PPARDPPARAPPARG
SCHEMBL3416462 0.87 PPARD (0.41) BDKRB1PPARDPPARAPPARGTRPV1
SCHEMBL3414067 0.85 KCNA5 (0.39) BDKRB1PPARDPPARAPPARGTRPV1
SCHEMBL3417162 0.84 BDKRB1 (0.42) BDKRB1PPARDPPARAPPARG
SCHEMBL3413967 0.83 BDKRB1 (0.46) BDKRB1
SCHEMBL3415050 0.83 PPARD (0.41) BDKRB1PPARDPPARAPPARGTRPV1

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 4 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-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 BDKRB1 298/4885ROCK2 4448/4885ROCK1 3645/4885

“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.