SCHEMBL2854634

SCHEMBL2854634

NCc1cc(NC(=O)COC(=O)C(F)(F)F)ccc1N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.51
HTT P42858 2/20 0.51
TSHR P16473 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LDHA P00338 2/20 0.46
LDHB P07195 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ACP1 P24666 1/20 0.44
NTRK1 P04629 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
Trifluoroacetic Acid SCHEMBL2854628 0.80 ALDH1A1 (0.52) MAPTALDH1A1HTTTSHRHPGD
SCHEMBL8253702 0.78 ALDH1A1 (0.56) MAPTALDH1A1MAPK1HTTTSHR
SCHEMBL5311013 0.71 KLK7 (0.45) MAPTALDH1A1HTTNPSR1POLB
SCHEMBL113410 0.69 LMNA (0.67) ALDH1A1TSHRNPSR1POLBLMNA
SCHEMBL423109 0.68 ALDH1A1 (0.53) MAPTALDH1A1MAPK1HTTHPGD
SCHEMBL792326 0.68 L3MBTL1 (0.61) MAPTALDH1A1MAPK1HTTNPSR1
SCHEMBL16583835 0.68 MAPT (0.60) MAPTALDH1A1MAPK1HTTTSHR
SCHEMBL792315 0.67 MAPT (0.53) MAPTALDH1A1MAPK1HTTTSHR
SCHEMBL28009547 0.67 SMN1; SMN2 (0.62) MAPTNPC1RAB9AL3MBTL1CYP2C9
SCHEMBL4180659 0.67 SMN1; SMN2 (0.66) MAPTALDH1A1MAPK1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910298-B1 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-01-13 EP disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 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 MAPT 1601/4885ALDH1A1 2963/4885MAPK1 1612/4885

“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.