SCHEMBL6351077

SCHEMBL6351077

CCCC1SC=CN(CC(=O)N[C@@H](Cc2ccccc2)C(=O)C(=O)O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MMP2 P08253 2/20 0.37
TP53 P04637 1/20 0.37
CAPN1 P07384 3/20 0.36
POLB P06746 2/20 0.36
ACE P12821 3/20 0.35
ACE2 Q9BYF1 3/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
FAAH O00519 2/20 0.34
PSMB5 P28074 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
SCHEMBL6351082 1.00 ALDH1A1 (0.39) ALDH1A1MMP2TP53CAPN1POLB
SCHEMBL6356434 0.93 ALDH1A1 (0.40) ALDH1A1MMP2TP53CAPN1POLB
SCHEMBL6356439 0.93 ALDH1A1 (0.40) ALDH1A1MMP2TP53CAPN1POLB
SCHEMBL6347742 0.86 ALDH1A1 (0.41) ALDH1A1MMP2TP53CAPN1POLB
SCHEMBL6347737 0.86 ALDH1A1 (0.41) ALDH1A1MMP2TP53CAPN1POLB
SCHEMBL6346933 0.84 ALDH1A1 (0.40) ALDH1A1MMP2TP53CAPN1POLB
SCHEMBL6358371 0.84 ALDH1A1 (0.40) ALDH1A1MMP2TP53CAPN1POLB
SCHEMBL6358360 0.84 ALDH1A1 (0.40) ALDH1A1MMP2TP53CAPN1POLB
SCHEMBL6346939 0.84 ALDH1A1 (0.40) ALDH1A1MMP2TP53CAPN1POLB
SCHEMBL6358303 0.83 HDAC3 (0.35) ALDH1A1POLBHDAC3HDAC4HDAC1

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 ALDH1A1 420/4885MMP2 86/4885TP53 3366/4885

“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.