SCHEMBL13857697

SCHEMBL13857697

CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSG P08311 3/20 0.54
CMA1 P23946 3/20 0.54
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
REN P00797 1/20 0.48
GNPAT O15228 1/20 0.48
PAM P19021 1/20 0.48
CTRC Q99895 1/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CTRB1 P17538 3/20 0.47
MME P08473 2/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL14363442 0.89 CTSG (0.62) CTSGCMA1CTSSCTSKGNPAT
SCHEMBL14865867 0.89 CTSG (0.62) CTSGCMA1CTSSCTSKGNPAT
SCHEMBL22249863 0.87 CTRB1 (0.53) CTSGCMA1ALDH1A1THRBCYP2C9
SCHEMBL29498118 0.86 REN (0.56) CTSSCTSKRENGNPATPAM
SCHEMBL13022186 0.86 MME (0.61) CTSSCTSKGNPATMMEACE
SCHEMBL4371865 0.86 MME (0.61) CTSSCTSKGNPATMMEACE
SCHEMBL4371868 0.86 MME (0.61) CTSSCTSKGNPATMMEACE
SCHEMBL13287429 0.84 CTSG (0.52) CTSGCMA1ALDH1A1THRBCYP2C9
SCHEMBL16488396 0.84 CTSG (0.52) CTSGCMA1ALDH1A1THRBCYP2C9
SCHEMBL13022187 0.82 ALDH1A1 (0.69) RENALDH1A1THRBCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090136518-A1 Compositions and methods to reduce mutagenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2009-05-28 US disclosed
US-7455840-B2 Compositions and methods to reduce mutagenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2008-11-25 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-20090136518-A1 Compositions and methods to reduce mutagenesis OGG1, DNMT3A, APOBEC3G CTSG 1090/4885CMA1 1457/4885CTSS 4155/4885

“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.