SCHEMBL2855258

SCHEMBL2855258

CC(C)Sc1ccc([N+](=O)[O-])cc1C(CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
GAA P10253 3/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2855254 1.00 ITGA4 (0.42) ITGA4ITGB7ALDH1A1KMT2ALMNA
SCHEMBL2850999 0.79 ALDH1A1 (0.46) ALDH1A1KMT2ALMNASMN1; SMN2HTT
SCHEMBL2851003 0.79 ALDH1A1 (0.46) ALDH1A1KMT2ALMNASMN1; SMN2HTT
SCHEMBL2848645 0.79 KDM4E (0.36) ALDH1A1KMT2ALMNASMN1; SMN2HTT
SCHEMBL14008854 0.77 PPARG (0.41) ITGA4ITGB7ALDH1A1KMT2ALMNA
SCHEMBL13331072 0.72 ALDH1A1 (0.42) ITGA4ITGB7ALDH1A1KMT2ALMNA
SCHEMBL14008890 0.72 ALDH1A1 (0.46) ALDH1A1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL2857900 0.70 ALDH1A1 (0.40) ALDH1A1KMT2ALMNASMN1; SMN2HTT
SCHEMBL2857898 0.70 ALDH1A1 (0.40) ALDH1A1KMT2ALMNASMN1; SMN2HTT
SCHEMBL11090216 0.70 ALDH1A1 (0.47) ITGA4ITGB7ALDH1A1KMT2ALMNA

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 5 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
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

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 ITGA4 386/4885ITGB7 513/4885ALDH1A1 2963/4885

“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.