SCHEMBL4597973

SCHEMBL4597973

O=C(O)c1ccccc1SCC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
RAB9A P51151 6/20 0.56
POLB P06746 5/20 0.55
NPC1 O15118 3/20 0.49
GAA P10253 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
PTPRG P23470 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL4597843 0.84 SIRT1 (0.50) CYP1A2RAB9APOLBNPC1GAA
SCHEMBL4598775 0.80 HSD17B10 (0.63) RAB9APOLBNPC1ALDH1A1ALOX15
SCHEMBL14398438 0.79 CYP1A2 (0.67) CYP1A2RAB9APOLBNPC1GAA
SCHEMBL6230251 0.79 CYP1A2 (0.71) CYP1A2RAB9APOLBNPC1GAA
SCHEMBL6231914 0.79 CYP1A2 (0.71) CYP1A2RAB9APOLBNPC1GAA
SCHEMBL6231027 0.76 CYP1A2 (0.67) CYP1A2RAB9APOLBNPC1GAA
SCHEMBL6232508 0.76 CYP1A2 (0.67) CYP1A2RAB9APOLBNPC1GAA
SCHEMBL1449047 0.76 POLB (0.61) CYP1A2RAB9APOLBNPC1GAA
SCHEMBL340809 0.76 CYP1A2 (1.00) CYP1A2RAB9APOLBNPC1GAA
SCHEMBL31136068 0.76 CYP1A2 (1.00) CYP1A2RAB9APOLBNPC1GAA

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
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
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-5534634-A Process for preparing trifluoroethyl sulfur compounds from thiolates and 1-chloro-2,2,2-trifluoroethane HOECHST AG (DE) 1996-07-09 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 CYP1A2 409/4885RAB9A 1690/4885POLB 2996/4885

“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.