SCHEMBL6356008

SCHEMBL6356008

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccc(C(Cc2ccccc2)c2ccccc2)s1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.61
CTSL P07711 4/20 0.54
CTSB P07858 2/20 0.54
TACR1 P25103 1/20 0.53
CTSS P25774 3/20 0.53
CAPN1 P07384 2/20 0.52

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
SCHEMBL4676446 0.89 CTSK (0.66) CTSKCTSLCTSBTACR1CTSS
SCHEMBL4674921 0.88 CTSK (0.65) CTSKCTSLCTSBCTSS
SCHEMBL4674918 0.88 CTSK (0.65) CTSKCTSLCTSBCTSS
SCHEMBL6355820 0.83 CTSK (0.64) CTSKCTSLCTSBTACR1CTSS
SCHEMBL6360120 0.83 CTSK (0.66) CTSKCTSLCTSBTACR1CTSS
SCHEMBL6353434 0.82 CTSK (0.65) CTSKCTSLCTSBTACR1CTSS
SCHEMBL6355803 0.80 CTSK (0.62) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL4678828 0.80 CTSK (0.61) CTSKCTSLCTSBTACR1CTSS
SCHEMBL4678825 0.80 CTSK (0.61) CTSKCTSLCTSBTACR1CTSS
SCHEMBL4678780 0.78 CTSK (0.66) CTSKCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2005-07-14 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-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use CTSZ, CTSE, CTSS CTSK 8/4885CTSL 17/4885CTSB 4/4885

“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.