SCHEMBL5650158

SCHEMBL5650158

CC(C)(C)N(Cc1ccc(C(F)(F)F)cc1CN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
POLQ O75417 3/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CES2 O00748 1/20 0.36
MPO P05164 1/20 0.35
TPO P07202 1/20 0.35
MTOR P42345 1/20 0.35
SCN9A Q15858 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TBXA2R P21731 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CFTR P13569 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5647255 0.83 RIPK1 (0.41) MEN1KMT2AHTTL3MBTL1
SCHEMBL5647737 0.82 KMT2A (0.39) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL16427158 0.81 F2 (0.39) MEN1KMT2AHTTL3MBTL1
SCHEMBL5645549 0.78 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10
SCHEMBL1799391 0.78 MEN1 (0.46) CYP2D6KDM4EALDH1A1HSD17B10MEN1
SCHEMBL5648402 0.76 RIPK1 (0.38) MEN1KMT2AHTTL3MBTL1
SCHEMBL18934899 0.74 MPO (0.43) CYP3A4CYP2D6POLQKDM4EALDH1A1
SCHEMBL545297 0.74 NR1H2 (0.46) POLQMEN1KMT2AHTTL3MBTL1
SCHEMBL5968616 0.71 MPO (0.43) CYP2D6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1818639 0.71 PTGDR2 (0.39) POLQALDH1A1MEN1KMT2APTGDR2

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-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-07-12 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-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin PLG, F2, PLAT CYP3A4 267/4885CYP2D6 288/4885POLQ 2450/4885

“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.