SCHEMBL2852131

SCHEMBL2852131

CCOc1cc(B(O)O)ccc1OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
SHMT2 P34897 1/20 0.37
F7 P08709 5/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ENPP2 Q13822 1/20 0.37
F3 P13726 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
AGPAT2 O15120 1/20 0.35
POLB P06746 1/20 0.35
CSNK2A1 P68400 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2802409 0.86 POLB (0.44) TSHRCYP3A4ENPP2ALDH1A1MAPT
SCHEMBL29956372 0.86 POLB (0.44) TSHRCYP3A4ENPP2ALDH1A1MAPT
SCHEMBL1963060 0.81 PDE4A (0.50) TSHRENPP2ALDH1A1MAPTMAPK1
SCHEMBL16426991 0.78 MAPT (0.54) TSHRENPP2ALDH1A1MAPTMAPK1
SCHEMBL5636990 0.78 ENPP2 (0.42) TSHRCYP3A4KMT2AENPP2PDE4A
SCHEMBL16654220 0.76 S1PR1 (0.37) TSHRCYP3A4ENPP2LPLLIPG
SCHEMBL2997367 0.76 KCNK3 (0.41) ENPP2ALDH1A1CSNK2A1
SCHEMBL1890521 0.76 TSHR (0.39) TSHRENPP2ALDH1A1MAPTLPL
SCHEMBL29636287 0.76 TSHR (0.39) TSHRENPP2ALDH1A1MAPTLPL
SCHEMBL29954406 0.76 CA2 (0.39) ENPP2LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061756-B1 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2013-09-25 EP disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 US disclosed
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP disclosed
EP-1910298-B1 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-01-13 EP disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
EP-2061756-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2009-05-27 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
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007146719-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENYLACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-21 WO disclosed
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 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
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 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 TSHR 1231/4885CYP3A4 201/4885SHMT2 4492/4885
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 TSHR 4030/4885CYP3A4 943/4885SHMT2 4369/4885
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F8 TSHR 761/4885CYP3A4 665/4885SHMT2 4793/4885

“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.