SCHEMBL2916486

SCHEMBL2916486

CC(C)(C)OC(=O)n1cccc1-c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44
STAT3 P40763 1/20 0.43
CA2 P00918 8/20 0.41
CA1 P00915 7/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 1/20 0.41
TNK2 Q07912 1/20 0.41
NR1H2 P55055 2/20 0.39
ACLY P53396 1/20 0.38
BRD4 O60885 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
IKBKB O14920 1/20 0.36

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
SCHEMBL978142 0.82 HSP90AA1 (0.55) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL5525530 0.80 CA2 (0.46) CA2CA1CA12CA9CA14
SCHEMBL29196622 0.80 HSP90AA1 (0.47) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL30918977 0.80 HSP90AA1 (0.47) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL30918979 0.80 HSP90AA1 (0.49) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL12450000 0.79 HSP90AA1 (0.52) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL30885563 0.77 HSP90AA1 (0.46) HSP90AA1HSP90AB1PIK3R1PIK3CACA2
SCHEMBL29285095 0.77 HSP90AA1 (0.46) HSP90AA1HSP90AB1PIK3R1PIK3CACA2
SCHEMBL4717161 0.76 HSP90AA1 (0.46) HSP90AA1HSP90AB1PIK3R1PIK3CA
SCHEMBL17673749 0.75 HSP90AA1 (0.55) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP 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
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 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-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 HSP90AA1 1890/4885HSP90AB1 2350/4885PIK3R1 2799/4885

“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.