SCHEMBL14731237

SCHEMBL14731237

CCc1cccc(F)c1C(=O)NC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
RIPK1 Q13546 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PLK1 P53350 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TRPA1 O75762 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
HTT P42858 1/20 0.40
NOD2 Q9HC29 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL16664442 0.88 GAA (0.49) GAACES2CES1RIPK1MEN1
SCHEMBL4145186 0.85 GAA (0.61) GAACES2CES1MEN1KMT2A
SCHEMBL27023350 0.80 CXCL8 (0.47) CES2CES1MEN1KMT2ANPC1
SCHEMBL13354976 0.80 CA12 (0.47) MEN1KMT2APLK1GABRA1GABRB2
SCHEMBL29571315 0.79 CES2 (0.50) CES2CES1PLK1NPC1RAB9A
SCHEMBL10398579 0.79 CES2 (0.50) CES2CES1PLK1NPC1RAB9A
SCHEMBL23939824 0.79 KDM4E (0.43) GAAPLK1RAB9AGABRA1GABRB2
SCHEMBL18329438 0.79 CA12 (0.50) CES2CES1KMT2ARAB9A
SCHEMBL14731241 0.78 CES2 (0.48) CES2CES1RIPK1GABRA1GABRB2
SCHEMBL14454108 0.78 GAA (0.53) GAACES2CES1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US 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-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG GAA 1062/4885CES2 370/4885CES1 2843/4885

“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.