SCHEMBL2701547

SCHEMBL2701547

CCOc1ccc(F)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
NQO1 P15559 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 1/20 0.49
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
KAT6A Q92794 1/20 0.45
ADRB3 P13945 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CACNA1C Q13936 1/20 0.43
SLC5A1 P13866 2/20 0.43
SLC5A2 P31639 2/20 0.43

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
SCHEMBL28288742 0.85 LTA4H (0.55) LTA4HMAPTALDH1A1FFAR1FFAR4
SCHEMBL17534283 0.85 LTA4H (0.55) LTA4HMAPTALDH1A1CA3CA6
SCHEMBL1128318 0.84 NQO1 (0.50) LTA4HNQO1MAPTALDH1A1HSD17B10
SCHEMBL1547853 0.81 NQO1 (0.56) LTA4HNQO1MAPTALDH1A1HSD17B10
SCHEMBL339500 0.81 LTA4H (0.57) LTA4HNQO1MAPTALDH1A1HSD17B10
SCHEMBL1051397 0.81 LTA4H (0.57) LTA4HNQO1MAPTALDH1A1HSD17B10
SCHEMBL25797618 0.80 NR5A1 (0.64) LTA4HTP53TSHR
SCHEMBL4474958 0.80 LTA4H (0.52) LTA4HNQO1MAPTALDH1A1HSD17B10
SCHEMBL25797877 0.80 NR5A1 (0.48) LTA4HCA3CA6CA5ACA9
SCHEMBL25797835 0.80 NR5A1 (0.48) LTA4HCA3CA6CA5ACA9

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194046-B1 Triazolone derivative EISAI R&D MAN CO LTD (JP) 2012-05-09 EP disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
EP-2194046-A1 Triazolone derivative Eisai R&D Management Co., Ltd. (JP) 2010-06-09 EP 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
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
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US 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
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 (3 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 LTA4H 1118/4885NQO1 2611/4885MAPT 1601/4885
US-20030166683-A1 N-(4-CARBAMIMIDOYL-PHENYL)-GLYCINE DERIVATIVES F2, F12, F5 LTA4H 814/4885NQO1 2180/4885MAPT 4697/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 LTA4H 3123/4885NQO1 1541/4885MAPT 3959/4885

“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.