SCHEMBL17700419

SCHEMBL17700419

CC(F)(F)CN(C(=O)OC(C)(C)C)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 2/20 0.38
THRB P10828 2/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
POLQ O75417 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL17817791 0.84 POLB (0.61) POLBLMNATSHRSMN1; SMN2GAA
SCHEMBL7500028 0.82 POLB (0.52) POLBLMNATSHRSMN1; SMN2GAA
SCHEMBL30876406 0.82 POLB (0.49) POLBLMNATSHRSMN1; SMN2GAA
SCHEMBL19317381 0.82 POLB (0.49) POLBLMNATSHRSMN1; SMN2GAA
SCHEMBL29075996 0.81 POLB (0.69) POLBLMNATSHRSMN1; SMN2GAA
SCHEMBL7503707 0.81 POLB (0.48) POLBLMNATSHRSMN1; SMN2GAA
Lithium Ion SCHEMBL5868305 0.80 POLB (0.47) POLBLMNATSHRSMN1; SMN2GAA
SCHEMBL20025128 0.80 POLB (0.47) POLBLMNATSHRSMN1; SMN2GAA
SCHEMBL4840210 0.79 POLB (0.46) POLBLMNATSHRSMN1; SMN2GAA
SCHEMBL30676280 0.78 POLB (0.46) POLBLMNATSHRSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US 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 POLB 4857/4885LMNA 3469/4885TSHR 731/4885

“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.