SCHEMBL4599433

SCHEMBL4599433

CCOc1cccc(C(Nc2ccc(C#N)nc2)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.47
F7 P08709 6/20 0.47
F3 P13726 6/20 0.47
PRSS1 P07477 5/20 0.47
PRSS2 P07478 5/20 0.47
PRSS3 P35030 5/20 0.47
F2 P00734 4/20 0.45
HTT P42858 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.42
DHODH Q02127 1/20 0.41
CHEK1 O14757 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL14035946 0.79 KMT2A (0.42) F10F7F3PRSS1F2
SCHEMBL5002743 0.77 F7 (0.51) F10F7F3F2HTT
SCHEMBL5882556 0.74 F10 (0.66) F10F7F3PRSS1PRSS2
SCHEMBL4599758 0.74 F10 (0.56) F10F7F3PRSS1PRSS2
SCHEMBL5882999 0.74 F10 (0.59) F10F7F3PRSS1PRSS2
SCHEMBL5882995 0.74 F10 (0.59) F10F7F3PRSS1PRSS2
SCHEMBL5882587 0.73 F10 (0.58) F10F7F3PRSS1PRSS2
SCHEMBL5882581 0.73 F10 (0.58) F10F7F3PRSS1PRSS2
SCHEMBL5881929 0.72 SGMS2 (0.58) F10F7F3PRSS1PRSS2
SCHEMBL5882535 0.72 F10 (0.59) F10F7F3PRSS1PRSS2

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
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
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 F10 19/4885F7 3/4885F3 10/4885

“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.