SCHEMBL6401314

SCHEMBL6401314

COc1ccc(C(N(CCCc2ccccc2)C(=O)[C@H](CC(C)C)NC(=O)c2ccc(N(C)C)cc2)S(N)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.42
CTSK P43235 3/20 0.42
CTSL P07711 4/20 0.41
CA2 P00918 3/20 0.41
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
CTSB P07858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
CA1 P00915 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
OPRK1 P41145 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.37
KMT2A Q03164 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
SCHEMBL6401355 0.91 CTSS (0.41) CTSSCTSKCTSLCA2SCN5A
SCHEMBL6405204 0.88 CTSS (0.40) CTSSCTSKCTSLALDH1A1LMNA
SCHEMBL6408935 0.87 LMNA (0.44) CTSSCTSKCTSLALDH1A1LMNA
SCHEMBL6402653 0.81 CTSS (0.47) CTSSCTSKCTSLCTSBTAS1R3
SCHEMBL6402831 0.80 OPRK1 (0.45) ALDH1A1SIGMAR1NPC1RAB9AOPRK1
SCHEMBL6404630 0.72 L3MBTL1 (0.44) ALDH1A1NPC1RAB9AKMT2A
SCHEMBL7258293 0.72 L3MBTL1 (0.44) ALDH1A1NPC1RAB9AKMT2A
SCHEMBL6401358 0.72 CTSS (0.45) CTSSCTSKCTSLNPC1RAB9A
SCHEMBL6401370 0.71 L3MBTL1 (0.40) ALDH1A1KMT2A
SCHEMBL6405206 0.71 CTSS (0.44) CTSSCTSKCTSLNPC1RAB9A

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 13/4885CTSK 43/4885CTSL 22/4885

“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.