SCHEMBL2814403

SCHEMBL2814403

CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
KIF11 P52732 7/20 0.37
KMT2A Q03164 2/20 0.35
CASP3 P42574 1/20 0.35
EPHX2 P34913 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
SCHEMBL2814407 1.00 FABP5 (0.39) FABP5FABP7MDM4TP53KIF11
SCHEMBL2817453 0.94 KIF11 (0.45) FABP5FABP7MDM4TP53KIF11
SCHEMBL2817454 0.94 KIF11 (0.45) FABP5FABP7MDM4TP53KIF11
SCHEMBL23722969 0.90 KIF11 (0.40) FABP5FABP7MDM4TP53KIF11
SCHEMBL31714132 0.90 KIF11 (0.40) FABP5FABP7MDM4TP53KIF11
SCHEMBL29511437 0.90 KIF11 (0.40) FABP5FABP7MDM4TP53KIF11
SCHEMBL29611191 0.90 KIF11 (0.40) FABP5FABP7MDM4TP53KIF11
SCHEMBL4409339 0.90 KIF11 (0.40) FABP5FABP7MDM4TP53KIF11
SCHEMBL29399007 0.86 FABP5 (0.40) FABP5FABP7MDM4TP53KMT2A
SCHEMBL120598 0.86 FABP5 (0.40) FABP5FABP7MDM4TP53KMT2A

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
US-7659364-B2 N-methyl-homocysteines and their use as well as process for their production CIS BIO INTERNATIONAL (FR) 2010-02-09 US disclosed
EP-1444194-B1 N-METHYL-HOMOCYSTINES, USE THEREOF AND METHOD FOR THE PRODUCTION THEREOF CIS BIO INT (FR) 2009-12-09 EP disclosed
EP-1444194-A1 N-METHYL-HOMOCYSTINES, USE THEREOF AND METHOD FOR THE PRODUCTION THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2004-08-11 EP disclosed
US-20030120032-A1 N-methyl-homocysteines and their use as well as process for their production SCHERING AG (DE) 2003-06-26 US disclosed
WO-2003042163-A1 N-METHYL-HOMOCYSTINES, USE THEREOF AND METHOD FOR THE PRODUCTION THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-22 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-20030120032-A1 N-methyl-homocysteines and their use as well as process for their production BHMT, BHMT2, AHCY FABP5 2008/4885FABP7 649/4885MDM4 1723/4885

“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.