SCHEMBL6349650

SCHEMBL6349650

COC(=O)CN1C(=O)[C@H](C(C)C)SC=C1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
OPRL1 P41146 2/20 0.39
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PPARG P37231 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.37
CASP3 P42574 1/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RCE1 Q9Y256 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
SCHEMBL6349646 1.00 TSHR (0.39) TSHROPRL1KDM4ESMN1; SMN2PPARG
SCHEMBL6345050 0.88 PPARG (0.37) PPARGALDH1A1CASP3KMT2AHTT
SCHEMBL6349895 0.88 ALDH1A1 (0.41) KDM4EPPARGALDH1A1LMNAKMT2A
SCHEMBL6349893 0.88 ALDH1A1 (0.41) KDM4EPPARGALDH1A1LMNAKMT2A
SCHEMBL6351956 0.88 CA12 (0.39) ALDH1A1
SCHEMBL6351959 0.88 CA12 (0.39) ALDH1A1
SCHEMBL6350463 0.80 CA9 (0.41) KDM4EALDH1A1LMNAKMT2AHPGD
SCHEMBL6347128 0.78 POLB (0.39) ALDH1A1LMNA
SCHEMBL6350481 0.77 ALDH1A1 (0.38) KDM4EPPARGALDH1A1HPGDHSD17B10
SCHEMBL6350484 0.77 ALDH1A1 (0.38) KDM4EPPARGALDH1A1HPGDHSD17B10

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 TSHR 338/4885OPRL1 673/4885KDM4E 2934/4885

“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.