SCHEMBL6351965

SCHEMBL6351965

CO[C@](Cc1ccccc1)(NC(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ATM Q13315 1/20 0.44
AKT1 P31749 3/20 0.43
KLK5 Q9Y337 2/20 0.43
CTSK P43235 4/20 0.43
CTSS P25774 3/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
ACE P12821 1/20 0.41
RECQL P46063 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7589098 0.89 RECQL (0.41) CTSKCTSLCTSBRECQLCYP1A2
SCHEMBL2024317 0.82 CA12 (0.48) CA12CA1CA7CA14ATM
SCHEMBL8278320 0.82 CA12 (0.48) CA12CA1CA7CA14ATM
SCHEMBL6351491 0.82 CA12 (0.43) CA12CA1CA7CA14ATM
SCHEMBL14266632 0.81 ALDH1A1 (0.58) CA12CA1CA7CA14ATM
SCHEMBL6341100 0.81 CA12 (0.42) CA12CA1CA7CA14ATM
SCHEMBL6341105 0.81 CA12 (0.42) CA12CA1CA7CA14ATM
SCHEMBL5969582 0.79 CA12 (0.50) CA12CA1CA7CA14ATM
SCHEMBL16168412 0.78 CA12 (0.47) CA12CA1CA7CA14ATM
SCHEMBL2210445 0.77 CA12 (0.49) CA12CA1CA7CA14ATM

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 CA12 2292/4885CA1 1405/4885CA7 141/4885

“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.