SCHEMBL6347591

SCHEMBL6347591

CC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)O)N1C=CS[C@@H](C(C)C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.40
ACE P12821 4/20 0.40
CPA1 P15085 4/20 0.40
ACE2 Q9BYF1 4/20 0.40
CAPN1 P07384 1/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6347587 1.00 MME (0.40) MMEACECPA1ACE2CAPN1
SCHEMBL6348125 0.94 MEN1 (0.39) MMEACECPA1ACE2CAPN1
SCHEMBL6348128 0.94 MEN1 (0.39) MMEACECPA1ACE2CAPN1
SCHEMBL6354266 0.89 CAPN1 (0.40) MMEACECPA1ACE2CAPN1
SCHEMBL6354263 0.89 CAPN1 (0.40) MMEACECPA1ACE2CAPN1
SCHEMBL6346933 0.82 ALDH1A1 (0.40) ACECAPN1LMNATDP1ALDH1A1
SCHEMBL6346939 0.82 ALDH1A1 (0.40) ACECAPN1LMNATDP1ALDH1A1
SCHEMBL6356999 0.79 MAPT (0.46) LMNATDP1ALDH1A1CYP2C9CYP2C19
SCHEMBL6357003 0.79 MAPT (0.46) LMNATDP1ALDH1A1CYP2C9CYP2C19
SCHEMBL6349228 0.77 MEN1 (0.39) MMELMNATDP1ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960575-B2 For use as inhibitors of chymase SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040097496-A1 Novel thiazine derivatives SANTEN PHARMACEUTICAL CO.,LTD. (JP) 2004-05-20 US disclosed
US-6713472-B1 2-OXO-1,2,3,4-TETRAHYDROPYRAZINE DERIVATIVES; CHYMASE INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-03-30 US disclosed
EP-1211249-A1 NOVEL THIAZINE OR PYRAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-05 EP 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-20040097496-A1 Novel thiazine derivatives CMA1, TPSD1, HRH4 MME 321/4885ACE 5/4885CPA1 44/4885

“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.