SCHEMBL3911030

SCHEMBL3911030

NC[C@H](Cc1ccccc1)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 3/20 0.39
▸ AURKA O14965 2/20 0.38
▸ RPS6KB1 P23443 2/20 0.38
▸ ROCK2 O75116 2/20 0.36
▸ ROCK1 Q13464 2/20 0.36
▸ ALPI P09923 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ XIAP P98170 1/20 0.36
▸ SLC7A5 Q01650 1/20 0.36
▸ NAALAD2 Q9Y3Q0 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ ERAP2 Q6P179 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ AGTR2 P50052 1/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35

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
SCHEMBL3911025 1.00 MME (0.39) MMEAURKARPS6KB1ROCK2ROCK1
SCHEMBL8255755 0.87 MME (0.50) MMENAALAD2
SCHEMBL5870135 0.87 MME (0.50) MMENAALAD2
SCHEMBL29448215 0.82 MME (0.43) MMENAALAD2FOLH1
SCHEMBL8249923 0.81 MME (0.59) MMEACE
SCHEMBL5870219 0.81 MME (0.59) MMEACE
SCHEMBL1159856 0.80 CPB2 (0.35) SLC7A5
SCHEMBL10826528 0.79 MME (0.52) MMEACE
SCHEMBL466340 0.79 GAA (0.40) MMENAALAD2
SCHEMBL1643961 0.79 GAA (0.40) MMENAALAD2

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-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 — — EP disclosed
US-6949577-B2 Pharmaceuticals PFIZER, INC. (US) 2005-09-27 — — US disclosed
US-20030236420-A1 Pharmaceuticals ALLERTON CHARLOTTE MOIRA NORFO (GB) 2003-12-25 — — 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-20030236420-A1 Pharmaceuticals BDKRB1, TFPI, SERPINE1 MME 1178/4885AURKA 1850/4885RPS6KB1 1610/4885

“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.

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