SCHEMBL3415048

SCHEMBL3415048

COC(=O)c1cccc(-c2ccc(Cl)c(CNC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HDAC1 Q13547 1/20 0.43
ERN1 O75460 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
MAPK1 P28482 1/20 0.41
PLAU P00749 2/20 0.41
DGAT2 Q96PD7 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3415342 0.88 ERN1 (0.52) CA12CA9CA1CA2HDAC1
SCHEMBL3416346 0.87 PPARG (0.53) CA12CA9CA1CA2HDAC1
SCHEMBL3414304 0.84 PPARD (0.43) CA12CA9CA1CA2HDAC1
SCHEMBL2574484 0.84 HDAC1 (0.59) CA12CA9CA1CA2HDAC1
SCHEMBL3412378 0.83 WDR5 (0.44) CA12CA9CA1CA2HDAC1
SCHEMBL3415738 0.82 CHRM3 (0.51) CA12CA9CA1CA2HDAC1
SCHEMBL3413782 0.82 PPARD (0.47) CA12CA9CA1CA2HDAC1
SCHEMBL3416541 0.82 KCNA5 (0.49) HDAC1DGAT2NPC1RAB9APDK2
SCHEMBL3416928 0.81 PPARD (0.45) HDAC1DGAT2CYP2C9MTNR1BHPGD
SCHEMBL12231188 0.80 EPHX2 (0.50) MAPK1CYP1A2CYP2C19PDK2TRPV1

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 CA12 1382/4885CA9 1843/4885CA1 1378/4885

“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.