SCHEMBL14035945

SCHEMBL14035945

CCS(=O)(=O)c1ccc(NC(C)=O)cc1CN(C)C(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CDK1 P06493 1/20 0.40
IDH1 O75874 2/20 0.39
HPGD P15428 1/20 0.39
RIPK1 Q13546 2/20 0.38
RORC P51449 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
GSTO1 P78417 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
SCHEMBL5038734 0.86 ALDH1A1 (0.40) ALDH1A1MAPK1SMN1; SMN2L3MBTL1CDK1
SCHEMBL14035784 0.80 L3MBTL1 (0.47) ALDH1A1L3MBTL1
Trifluoroacetic Acid SCHEMBL2855263 0.79 ALDH1A1 (0.42) ALDH1A1MAPK1SMN1; SMN2L3MBTL1CDK1
SCHEMBL2873949 0.78 MAPK1 (0.42) ALDH1A1MAPK1SMN1; SMN2L3MBTL1CDK1
SCHEMBL2535835 0.77 ALDH1A1 (0.50) ALDH1A1MAPK1SMN1; SMN2CDK1HPGD
SCHEMBL8244193 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CDK1HPGDRORC
SCHEMBL5038736 0.71 L3MBTL1 (0.43) ALDH1A1MAPK1SMN1; SMN2L3MBTL1CDK1
SCHEMBL13738508 0.69 RIPK1 (0.54) RIPK1
SCHEMBL1817574 0.68 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1CDK1HPGD
SCHEMBL11777062 0.68 TDP1 (0.52) ALDH1A1CDK1HPGDKMT2A

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-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 ALDH1A1 2963/4885MAPK1 1612/4885SMN1; SMN2 4597/4885

“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.