SCHEMBL4598775

SCHEMBL4598775

COC(=O)c1ccccc1SCC(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.63
POLB P06746 2/20 0.63
KMT2A Q03164 2/20 0.50
CRBN Q96SW2 1/20 0.47
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CFTR P13569 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
PKLR P30613 1/20 0.43
GLA P06280 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL4597973 0.80 CYP1A2 (0.61) HSD17B10POLBKMT2ATSHRLMNA
SCHEMBL7364591 0.80 HSD17B10 (0.71) HSD17B10POLBKMT2ACRBNTSHR
SCHEMBL4597843 0.79 SIRT1 (0.50) HSD17B10POLBKMT2ATSHRMAPT
SCHEMBL10144072 0.78 HSD17B10 (0.67) HSD17B10POLBKMT2ACRBNTSHR
SCHEMBL15143214 0.78 HSD17B10 (0.67) HSD17B10POLBKMT2ACRBNTSHR
SCHEMBL9661237 0.78 HSD17B10 (1.00) HSD17B10POLBKMT2ACRBNTSHR
SCHEMBL9660330 0.78 HSD17B10 (0.77) HSD17B10POLBKMT2ACRBNTSHR
SCHEMBL21505100 0.76 HSD17B10 (0.65) HSD17B10POLBKMT2ACRBNTSHR
SCHEMBL8628655 0.76 POLB (0.65) HSD17B10POLBKMT2ACRBNTSHR
SCHEMBL9661198 0.76 HSD17B10 (0.74) HSD17B10POLBKMT2ACRBNTSHR

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
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
EP-1259506-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 2002-11-27 EP disclosed
US-6387911-B1 Pyrazinone thrombin inhibitors MERCK & CO., INC. 2002-05-14 US disclosed
WO-2001038323-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-05-31 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 (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 HSD17B10 4277/4885POLB 2996/4885KMT2A 2453/4885

“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.