SCHEMBL2818358

SCHEMBL2818358

CN(C(=O)OC(C)(C)C)[C@@H](CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 17/20 0.43
MMP13 P45452 1/20 0.41
DNMT1 P26358 1/20 0.37

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
SCHEMBL2818361 1.00 KIF11 (0.43) KIF11MMP13DNMT1
SCHEMBL20185747 0.88 KIF11 (0.49) KIF11DNMT1
SCHEMBL8370224 0.88 KIF11 (0.49) KIF11DNMT1
SCHEMBL21084958 0.88 KIF11 (0.49) KIF11DNMT1
SCHEMBL2820532 0.83 FOLH1 (0.45) KIF11
SCHEMBL2820537 0.83 FOLH1 (0.45) KIF11
SCHEMBL20202843 0.81 KIF11 (0.48) KIF11DNMT1
SCHEMBL23012930 0.79 MMP13 (0.46) MMP13
SCHEMBL7729230 0.79 MMP13 (0.46) MMP13
SCHEMBL7729226 0.79 MMP13 (0.46) MMP13

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 KIF11 4731/4885MMP13 4335/4885DNMT1 55/4885

“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.