SCHEMBL6401355

SCHEMBL6401355

COc1ccc(C(N(CCCc2ccccc2)C(=O)[C@H](CC(C)C)NC(=O)c2ccncc2)S(N)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.41
CTSL P07711 4/20 0.41
CTSK P43235 3/20 0.41
CA2 P00918 3/20 0.39
MMP13 P45452 1/20 0.39
USP30 Q70CQ3 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
GHSR Q92847 1/20 0.37
CTSB P07858 1/20 0.37
CYP3A4 P08684 1/20 0.37
CA1 P00915 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL6408935 0.92 LMNA (0.44) CTSSCTSLCTSKUSP30ALDH1A1
SCHEMBL6401314 0.91 CTSS (0.42) CTSSCTSLCTSKCA2ALDH1A1
SCHEMBL6405204 0.88 CTSS (0.40) CTSSCTSLCTSKALDH1A1UTS2R
SCHEMBL6401358 0.80 CTSS (0.45) CTSSCTSLCTSKMMP13USP30
SCHEMBL6404630 0.72 L3MBTL1 (0.44) ALDH1A1KMT2A
SCHEMBL7258293 0.72 L3MBTL1 (0.44) ALDH1A1KMT2A
SCHEMBL6403319 0.72 USP30 (0.45) CTSSCTSLCTSKUSP30ALDH1A1
SCHEMBL6402653 0.71 CTSS (0.47) CTSSCTSLCTSKCTSB
SCHEMBL6401370 0.71 L3MBTL1 (0.40) ALDH1A1KMT2A
SCHEMBL6402831 0.71 OPRK1 (0.45) ALDH1A1KMT2A

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-6900237-B2 Sulfonamide compounds as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
US-20030158231-A1 Sulfonamide compounds as protease inhibitors Celera Corporation 2003-08-21 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-20030158231-A1 Sulfonamide compounds as protease inhibitors PRSS1, PRSS3, SPINT2 CTSS 13/4885CTSL 22/4885CTSK 43/4885

“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.