SCHEMBL4597843

SCHEMBL4597843

NC(=O)c1ccccc1SCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.50
CYP1A2 P05177 2/20 0.42
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 3/20 0.39
METAP2 P50579 1/20 0.39
CTNNB1 P35222 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
BCAT2 O15382 1/20 0.38
PDK2 Q15119 1/20 0.38
POLB P06746 3/20 0.37
KMT2A Q03164 2/20 0.37

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 0.84 CYP1A2 (0.61) CYP1A2HSD17B10ALDH1A1MAPTTSHR
SCHEMBL9232480 0.80 SIRT1 (0.55) SIRT1CYP1A2HSD17B10ALDH1A1KDM4E
SCHEMBL4598775 0.79 HSD17B10 (0.63) HSD17B10ALDH1A1KDM4EMAPTTSHR
SCHEMBL28078023 0.77 KCNN4 (0.41) CYP1A2HSD17B10ALDH1A1RAB9ASMN1; SMN2
SCHEMBL149060 0.77 SIRT1 (0.55) SIRT1HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL3356549 0.77 SIRT1 (0.55) SIRT1CYP1A2HSD17B10ALDH1A1KDM4E
SCHEMBL14696832 0.77 CYP1A2 (0.55) SIRT1CYP1A2HSD17B10ALDH1A1KDM4E
SCHEMBL2407154 0.75 CYP1A2 (0.73) SIRT1CYP1A2HSD17B10ALDH1A1KDM4E
SCHEMBL6780943 0.74 PTGS2 (0.53) SIRT1CYP1A2HSD17B10ALDH1A1KDM4E
SCHEMBL292247 0.74 KMT2A (0.61) SIRT1CYP1A2ALDH1A1KDM4ESMN1; SMN2

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 8 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
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 SIRT1 1186/4885CYP1A2 409/4885HSD17B10 4277/4885

“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.