SCHEMBL3416541

SCHEMBL3416541

COC(=O)c1cccc(-c2ccccc2CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.49
DGAT2 Q96PD7 6/20 0.46
MGAT2 Q10469 1/20 0.46
PDK2 Q15119 1/20 0.44
BDKRB1 P46663 4/20 0.44
KDM4A O75164 1/20 0.43
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
HDAC1 Q13547 1/20 0.42
SUCNR1 Q9BXA5 1/20 0.42
NAMPT P43490 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
AXL P30530 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
SCHEMBL31710569 0.89 KCNA5 (0.50) KCNA5KDM4ABRD4CREBBPHDAC1
SCHEMBL4060683 0.89 KCNA5 (0.50) KCNA5KDM4ABRD4CREBBPHDAC1
SCHEMBL3415814 0.87 MTNR1A (0.46) DGAT2MGAT2NPC1RAB9A
SCHEMBL7710607 0.84 KCNA5 (0.52) KCNA5BDKRB1KDM4ABRD4CREBBP
SCHEMBL25470419 0.83 KCNA5 (0.51) KCNA5BDKRB1KDM4ABRD4CREBBP
SCHEMBL5477445 0.83 CHRM1 (0.56) KCNA5KDM4ABRD4CREBBPHDAC1
SCHEMBL7173368 0.83 MTNR1A (0.50) DGAT2MGAT2PDK2NPC1RAB9A
SCHEMBL3415342 0.83 ERN1 (0.52) PDK2HDAC1
SCHEMBL3413608 0.83 KCNA5 (0.51) KCNA5BDKRB1KDM4AHDAC1
SCHEMBL3415738 0.82 CHRM3 (0.51) BRD4CREBBPHDAC1

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 3 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-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 KCNA5 2463/4885DGAT2 1165/4885MGAT2 1767/4885

“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.