SCHEMBL6356918

SCHEMBL6356918

CCC1=CS[C@@H](C(C)C)C(=O)N1CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MMP2 P08253 3/20 0.37
TP53 P04637 1/20 0.36
CAPN1 P07384 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
ACE P12821 1/20 0.35
PSMB5 P28074 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL6356914 1.00 POLB (0.38) POLBALDH1A1MMP2TP53CAPN1
SCHEMBL6347131 0.87 POLB (0.39) POLBALDH1A1MMP2TP53CAPN1
SCHEMBL6347128 0.87 POLB (0.39) POLBALDH1A1MMP2TP53CAPN1
SCHEMBL6354395 0.84 POLB (0.38) POLBALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL6351923 0.83 OXTR (0.39) POLBALDH1A1CAPN1
SCHEMBL6351926 0.83 OXTR (0.39) POLBALDH1A1CAPN1
SCHEMBL6348278 0.81 CAPN1 (0.40) POLBALDH1A1CAPN1
SCHEMBL6348272 0.81 CAPN1 (0.40) POLBALDH1A1CAPN1
SCHEMBL6346933 0.79 ALDH1A1 (0.40) POLBALDH1A1MMP2TP53CAPN1
SCHEMBL6346939 0.79 ALDH1A1 (0.40) POLBALDH1A1MMP2TP53CAPN1

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 3 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

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 POLB 3917/4885ALDH1A1 420/4885MMP2 86/4885

“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.