SCHEMBL6402653

SCHEMBL6402653

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.47
CTSK P43235 4/20 0.47
CTSL P07711 6/20 0.46
LIMK2 P53671 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTSB P07858 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
LPAR1 Q92633 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL6401358 0.91 CTSS (0.45) CTSSCTSKCTSLLIMK2NPC1
SCHEMBL6403176 0.89 LPAR1 (0.45) CTSSCTSKCTSLLIMK2LPAR1
SCHEMBL6403319 0.88 USP30 (0.45) CTSSCTSKCTSLRAB9ALMNA
SCHEMBL6405206 0.88 CTSS (0.44) CTSSCTSKCTSLLIMK2NPC1
SCHEMBL6401314 0.81 CTSS (0.42) CTSSCTSKCTSLNPC1RAB9A
SCHEMBL6401544 0.81 MEN1 (0.48) NPC1RAB9ALMNAMAPT
SCHEMBL6401317 0.80 NPC1 (0.47) LIMK2NPC1RAB9ALMNAMAPT
SCHEMBL6401366 0.76 KEAP1 (0.41) LIMK2LPAR1
SCHEMBL6407189 0.74 MMP3 (0.41) LIMK2LPAR1
SCHEMBL6403800 0.74 ALDH1A1 (0.42) NPC1RAB9ALMNAMAPTLPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK SHARP & DOHME CORP. 2005-07-28 US claimed
US-6900237-B2 Sulfonamide compounds as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-05-31 US claimed
US-20030158231-A1 Sulfonamide compounds as protease inhibitors Celera Corporation 2003-08-21 US claimed
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 (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-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers KCNN1, KCNH1, KCNN2 CTSS 2699/4885CTSK 3596/4885CTSL 3844/4885
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.