SCHEMBL4598948

SCHEMBL4598948

CCOc1ccc(F)c(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
NQO1 P15559 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CACNA1C Q13936 1/20 0.38
KMT2A Q03164 2/20 0.37
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA9 Q16790 5/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 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
SCHEMBL2597426 0.82 CA12 (0.42) KMT2ACA12CA1CA9ALDH1A1
SCHEMBL8162618 0.79 CA12 (0.45) CA12CA1CA9
SCHEMBL26838274 0.78 NQO1 (0.42) KDM4ENQO1FFAR1FFAR4CACNA1C
SCHEMBL2548868 0.78 CA12 (0.44) KMT2ACA12CA1CA9ALDH1A1
SCHEMBL1620878 0.78 DRD2 (0.41)
SCHEMBL24685887 0.76 NQO1 (0.48) KDM4ENQO1FFAR1FFAR4CACNA1C
SCHEMBL1056366 0.76 ALOX5AP (0.36) CA12CA1CA9CA6CA5A
SCHEMBL2701268 0.76 NQO1 (0.41) KDM4ENQO1FFAR1FFAR4CACNA1C
SCHEMBL4599275 0.76 KDM4E (0.32) KDM4E
SCHEMBL8466480 0.76 MEN1 (0.40) KMT2ACA12CA1CA9ALDH1A1

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 10 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
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
EP-1474391-A1 WATER SOLUBLE PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-6642386-B2 Having alkoxy, halo and piperidin-4-yl substituents; water soluble; coagulation factors Xa and IXa, thrombin induced factor VIIa and tissue factor inhibitors HOFFMANN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030166683-A1 N-(4-CARBAMIMIDOYL-PHENYL)-GLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-04 US disclosed
WO-2003066588-A1 WATER SOLUBLE PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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 (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 KDM4E 1847/4885NQO1 2611/4885FFAR1 2640/4885
US-20030166683-A1 N-(4-CARBAMIMIDOYL-PHENYL)-GLYCINE DERIVATIVES F2, F12, F5 KDM4E 1416/4885NQO1 2180/4885FFAR1 2695/4885

“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.