SCHEMBL2912387

SCHEMBL2912387

CC(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
CYP3A4 P08684 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
BLM P54132 2/20 0.42
PDE2A O00408 1/20 0.42
PDE5A O76074 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
PDE4A P27815 1/20 0.42
PDE1B Q01064 1/20 0.42
PMP22 Q01453 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE1C Q14123 1/20 0.42
PDE7B Q9NP56 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 2/20 0.41
MCOLN3 Q8TDD5 2/20 0.41

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
SCHEMBL23640082 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1BLMPDE2A
SCHEMBL12496253 0.81 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1BLMPDE2A
SCHEMBL2913799 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1BLMPDE2A
SCHEMBL30168148 0.79 ALDH1A1 (0.43) ALDH1A1CYP3A4TDP1BLMPDE2A
SCHEMBL13021529 0.79 ALDH1A1 (0.43) ALDH1A1CYP3A4TDP1BLMPDE2A
SCHEMBL12326403 0.79 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1BLMPDE2A
SCHEMBL12496147 0.79 ALDH1A1 (0.43) ALDH1A1CYP3A4TDP1BLMPDE2A
SCHEMBL7408583 0.78 CA2 (0.44) ALDH1A1CYP3A4TDP1BLMPDE2A
SCHEMBL18844776 0.78 NT5E (0.50) ALDH1A1CYP3A4TDP1BLMPDE2A
SCHEMBL31449980 0.78 CA2 (0.44) ALDH1A1CYP3A4TDP1BLMPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061756-B1 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2013-09-25 EP disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 US disclosed
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 US disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
EP-2061756-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2009-05-27 EP disclosed
WO-2007146719-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENYLACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-21 WO disclosed
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 EP disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO 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 (3 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-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 ALDH1A1 4405/4885CYP3A4 257/4885TDP1 3824/4885
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 ALDH1A1 3804/4885CYP3A4 943/4885TDP1 2502/4885
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F8 ALDH1A1 2361/4885CYP3A4 665/4885TDP1 2390/4885

“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.