SCHEMBL18782008

SCHEMBL18782008

CC(C)(C)OC(=O)CC[C@@H](/C=C/S(=O)(=O)c1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.47
▸ CTSB P07858 3/20 0.47
▸ CTSS P25774 2/20 0.47
▸ CTSH P09668 1/20 0.47
▸ CTSC P53634 1/20 0.47
▸ CTSL P07711 5/20 0.46
▸ CASP3 P42574 3/20 0.45
▸ ABCB1 P08183 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ACE P12821 1/20 0.40
▸ MMP13 P45452 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
SCHEMBL7358261 0.89 CASP3 (0.52) CTSKCTSBCTSSCTSHCTSC
SCHEMBL7358268 0.89 CASP3 (0.52) CTSKCTSBCTSSCTSHCTSC
SCHEMBL7358274 0.89 CASP3 (0.52) CTSKCTSBCTSSCTSHCTSC
SCHEMBL8127874 0.87 CTSB (0.62) CTSKCTSBCTSSCTSHCTSC
SCHEMBL19015816 0.83 CASP3 (0.51) CTSKCTSBCTSSCTSHCTSC
SCHEMBL7214816 0.83 CASP3 (0.51) CTSKCTSBCTSSCTSHCTSC
SCHEMBL15459291 0.81 CTSK (0.45) CTSKCTSC
SCHEMBL19015814 0.81 CASP3 (0.48) CTSKCTSBCTSSCTSHCTSC
SCHEMBL7356705 0.80 CTSK (0.54) CTSKCTSBCTSSCTSHCTSC
SCHEMBL7356711 0.80 CTSK (0.54) CTSKCTSBCTSSCTSHCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167313-B2 Selective caspase inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2019-01-01 — — US disclosed
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-04-27 — — 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 (2 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-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP5 CTSK 83/4885CTSB 27/4885CTSS 47/4885
US-10167313-B2 Selective caspase inhibitors and uses thereof CASP1, CASP3, CASP5 CTSK 83/4885CTSB 27/4885CTSS 47/4885

“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.

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