SCHEMBL2944643

SCHEMBL2944643

COc1cc(B(O)O)c(F)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
TUBB1 Q9H4B7 4/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33

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
SCHEMBL2914602 0.85 ENPP2 (0.45) ENPP2ORAI1ORAI2ORAI3TUBB1
SCHEMBL31253228 0.85 ENPP2 (0.45) ENPP2ORAI1ORAI2ORAI3TUBB1
SCHEMBL12097369 0.83 ENPP2 (0.43) ENPP2ORAI1ORAI2ORAI3TUBB1
SCHEMBL30154767 0.83 ENPP2 (0.43) ENPP2ORAI1ORAI2ORAI3TUBB1
SCHEMBL23406340 0.81 ENPP2 (0.45) ENPP2TAAR1ORAI1ORAI2ORAI3
SCHEMBL30905960 0.81 ENPP2 (0.45) ENPP2TAAR1ORAI1ORAI2ORAI3
SCHEMBL4599515 0.79 TDP1 (0.38) GAASMN1; SMN2LMNAHTTMAPT
SCHEMBL789623 0.79 ENPP2 (0.43) ENPP2ORAI1ORAI2ORAI3TUBB1
SCHEMBL29408115 0.79 ENPP2 (0.43) ENPP2ORAI1ORAI2ORAI3TUBB1
SCHEMBL6176724 0.78 NPC1 (0.42) ENPP2TAAR1POLBGAASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 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
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 EP 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 (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-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 ENPP2 508/4885TAAR1 4858/4885ORAI1 4615/4885

“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.