SCHEMBL17700424

SCHEMBL17700424

COc1ccc(C(=O)N(C)CC(C)C)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 13/20 0.49
TP53 P04637 1/20 0.43
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL20460552 0.81 PDK2 (0.41) RAB9A
SCHEMBL1691191 0.81 CPS1 (0.55) CPS1KMT2ANPC1RAB9AMAPT
SCHEMBL1003506 0.81 CPS1 (0.58) CPS1KMT2ANPC1RAB9AMAPT
SCHEMBL20460549 0.80 MAP2K2 (0.38) GAA
SCHEMBL30514003 0.78 CPS1 (0.55) CPS1KMT2ANPC1RAB9AMAPT
SCHEMBL31104323 0.77 CPS1 (0.39) CPS1TP53KMT2ANPC1RAB9A
SCHEMBL17888003 0.74 MEN1 (0.56) KMT2ANPC1RAB9AMAPTHPGD
SCHEMBL30513985 0.74 CPS1 (0.58) CPS1KMT2ANPC1RAB9AHPGD
SCHEMBL26022176 0.74 MAPK1 (0.48) KMT2AMEN1GAA
SCHEMBL17888000 0.72 GYS1 (0.43) KMT2ARAB9AMAPTLMNAALDH1A1

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
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 CPS1 2626/4885TP53 735/4885KMT2A 1359/4885

“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.