SCHEMBL2855284

SCHEMBL2855284

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALOX15 P16050 1/20 0.45
MMP12 P39900 2/20 0.42
MMP13 P45452 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
MAOB P27338 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
SCHEMBL2852761 0.88 NPC1 (0.50) SMN1; SMN2LMNAHTTTSHRALOX15
SCHEMBL2853662 0.85 KDM4E (0.49) SMN1; SMN2LMNAHTTTSHRALOX15
SCHEMBL2535835 0.79 ALDH1A1 (0.50) SMN1; SMN2MAPK1ALDH1A1HPGDNPC1
SCHEMBL2542915 0.75 NPC1 (0.40) SMN1; SMN2LMNAMMP12MMP13ALDH1A1
Hydrochloric Acid SCHEMBL2541464 0.74 NPC1 (0.40) SMN1; SMN2LMNAMMP12MMP13ALDH1A1
SCHEMBL2848525 0.74 CA1 (0.54) SMN1; SMN2LMNAALDH1A1HPGDNPC1
SCHEMBL8245295 0.73 ALDH1A1 (0.46) SMN1; SMN2LMNATSHRALDH1A1HPGD
Hydrochloric Acid SCHEMBL28000097 0.72 CA12 (0.37) SMN1; SMN2LMNAHTTALOX15ALDH1A1
SCHEMBL8422763 0.71 CA1 (0.59) SMN1; SMN2ALDH1A1HPGD
SCHEMBL2856740 0.71 CA1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910298-B1 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-01-13 EP disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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 SMN1; SMN2 4597/4885LMNA 292/4885HTT 3772/4885

“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.