SCHEMBL2944251

SCHEMBL2944251

CC(=O)Nc1cccc(C2CCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.49
RIPK1 Q13546 2/20 0.49
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
USP2 O75604 1/20 0.46
DPP4 P27487 1/20 0.46
PREP P48147 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
UCHL1 P09936 2/20 0.45
USP30 Q70CQ3 2/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL17538806 0.83 ROCK2 (0.55) NPC1HTTPOLBRIPK1NPSR1
SCHEMBL9962304 0.82 USP30 (0.54) NPC1MAPTSMN1; SMN2USP30GAA
SCHEMBL878861 0.82 NPSR1 (0.56) RIPK1NPSR1TSHRALDH1A1MAPT
SCHEMBL3663950 0.81 USP30 (0.53) NPC1RIPK1NPSR1TSHRALDH1A1
SCHEMBL17067869 0.81 RIPK1 (0.73) RIPK1NPSR1TSHRALDH1A1MAPT
SCHEMBL4718386 0.81 RIPK1 (0.53) NPC1RIPK1NPSR1TSHRALDH1A1
SCHEMBL22505052 0.81 USP30 (0.53) NPC1RIPK1NPSR1TSHRALDH1A1
SCHEMBL21207072 0.81 RIPK1 (0.53) NPC1RIPK1NPSR1TSHRALDH1A1
SCHEMBL21198773 0.81 RIPK1 (0.53) NPC1RIPK1NPSR1TSHRALDH1A1
SCHEMBL469686 0.81 RIPK1 (0.73) RIPK1NPSR1TSHRALDH1A1MAPT

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 5 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
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 NPC1 3601/4885HTT 2829/4885POLB 4150/4885

“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.