SCHEMBL2820532

SCHEMBL2820532

CN(C(=O)OCc1ccccc1)[C@@H](CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ABCB1 P08183 2/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
KIF11 P52732 12/20 0.41
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL2820537 1.00 FOLH1 (0.45) FOLH1ITGB3ITGA2BABCB1CTSL
SCHEMBL6372184 0.84 FOLH1 (0.47) FOLH1ITGB3ITGA2BABCB1CTSL
SCHEMBL2818361 0.83 KIF11 (0.43) KIF11
SCHEMBL2818358 0.83 KIF11 (0.43) KIF11
SCHEMBL2814403 0.81 FABP5 (0.39) KIF11
SCHEMBL11306029 0.80 FOLH1 (0.49) FOLH1ITGB3ITGA2BABCB1CTSL
SCHEMBL24447455 0.79 CTSK (0.51) FOLH1ITGB3ITGA2BABCB1CTSL
SCHEMBL28404302 0.79 FOLH1 (0.63) FOLH1ITGB3ITGA2BABCB1CTSL
SCHEMBL25183100 0.79 CTSK (0.51) FOLH1ITGB3ITGA2BABCB1CTSL
SCHEMBL7087077 0.79 FOLH1 (0.63) FOLH1ITGB3ITGA2BABCB1CTSL

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 FOLH1 204/4885ITGB3 4193/4885ITGA2B 4149/4885

“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.