SCHEMBL14940927

SCHEMBL14940927

CC(C)(C)OC(=O)NCc1ccc(C(=O)O)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.42
RPS6KA1 Q15418 1/20 0.41
KDM4A O75164 1/20 0.40
CTSS P25774 4/20 0.40
CTSK P43235 3/20 0.40
HTT P42858 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
EPHX2 P34913 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PTPN11 Q06124 1/20 0.37
HDAC10 Q969S8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
IDO1 P14902 1/20 0.36
NAMPT P43490 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
SCHEMBL12231435 0.88 ATR (0.42) KCNA5RPS6KA1KDM4ACA12CA1
SCHEMBL25210585 0.87 KCNA5 (0.39) KCNA5RPS6KA1KDM4ACTSSCTSK
SCHEMBL14940729 0.84 RPS6KA1 (0.41) KCNA5RPS6KA1KDM4AHTTCA12
SCHEMBL12234545 0.84 RPS6KA1 (0.43) KCNA5RPS6KA1KDM4ACA12CA1
SCHEMBL28212129 0.82 RPS6KA1 (0.41) KCNA5RPS6KA1KDM4ACTSSCTSK
SCHEMBL28215080 0.82 KDM4A (0.42) KCNA5RPS6KA1KDM4ACTSSCTSK
SCHEMBL1654700 0.82 KDM4A (0.42) KCNA5RPS6KA1KDM4ACTSSCTSK
SCHEMBL30480695 0.82 RPS6KA1 (0.41) KCNA5RPS6KA1KDM4ACTSSCTSK
SCHEMBL29726426 0.82 RPS6KA1 (0.42) KCNA5RPS6KA1KDM4ACA12CA1
SCHEMBL20095633 0.82 RPS6KA1 (0.42) KCNA5RPS6KA1KDM4ACTSSCTSK

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-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US disclosed
CN-104105691-A MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC 2014-10-15 CN disclosed
EP-2776407-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2014-09-17 EP disclosed
WO-2013070657-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-05-16 WO 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-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO MRGPRX1, MRGPRX2, AGTR1 KCNA5 906/4885RPS6KA1 2071/4885KDM4A 3991/4885

“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.