SCHEMBL7570834

SCHEMBL7570834

CC(C)CC(NC(=O)c1cc2cc(OCCN3CCCCC3)ccc2o1)C(=O)NC1CCCN(S(=O)(=O)c2ccccc2)C[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.61
CTSL P07711 14/20 0.50
CTSS P25774 10/20 0.50
CTSB P07858 4/20 0.50
CTSV O60911 2/20 0.48
UTS2R Q9UKP6 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41

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
SCHEMBL4690446 0.95 CTSK (0.67) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7571991 0.88 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5139571 0.83 CTSK (0.61) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5139570 0.83 CTSK (0.61) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5139568 0.83 CTSK (0.61) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4689513 0.83 CTSK (0.67) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5093131 0.82 CTSK (0.73) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092741 0.82 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092743 0.82 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099228 0.81 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV

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-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 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-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885CTSL 25/4885CTSS 10/4885

“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.