SCHEMBL2846747

SCHEMBL2846747

COc1cc(C(Nc2ccc3c(N(OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)C(=O)O)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F7 P08709 19/20 0.43
F3 P13726 19/20 0.43
F10 P00742 12/20 0.42
F2 P00734 11/20 0.42
F11 P03951 6/20 0.42
NR1H4 Q96RI1 1/20 0.39
KLK1 P06870 1/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 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
SCHEMBL2853524 0.93 F7 (0.41) F7F3F10F2F11
SCHEMBL2855265 0.93 F7 (0.41) F7F3F10F2F11
SCHEMBL2855070 0.92 F7 (0.42) F7F3F10F2F11
SCHEMBL2846745 0.91 F7 (0.44) F7F3F10F2F11
SCHEMBL2857092 0.91 F7 (0.42) F7F3F10F2F11
SCHEMBL4332034 0.89 F7 (0.37) F7F3F10F2F11
SCHEMBL2916735 0.88 F7 (0.35) F7F3F10F2F11
SCHEMBL3012374 0.87 F7 (0.40) F7F3F10F2F11
SCHEMBL2908391 0.87 F7 (0.34) F7F3F10F2F11
SCHEMBL2853694 0.85 F7 (0.38) F7F3F10F2F11

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 6 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
EP-1910298-B1 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-01-13 EP disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
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
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 (2 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 F7 3/4885F3 10/4885F10 19/4885
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 F7 35/4885F3 20/4885F10 43/4885

“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.