SCHEMBL6401317

SCHEMBL6401317

COc1ccc(NS(=O)(=O)CN(CCCc2ccccc2)C(=O)CC(C)CCNC(=O)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SIGMAR1 Q99720 1/20 0.45
HPGD P15428 3/20 0.45
OPRK1 P41145 5/20 0.44
OPRM1 P35372 2/20 0.42
NAMPT P43490 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LIMK2 P53671 1/20 0.39
F10 P00742 1/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6401362 0.91 RAB9A (0.45) NPC1RAB9ASIGMAR1HPGDOPRK1
SCHEMBL6403180 0.89 MMP3 (0.42) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL6405210 0.87 NPC1 (0.43) NPC1RAB9ASIGMAR1OPRK1OPRM1
SCHEMBL6409458 0.87 NPC1 (0.42) NPC1RAB9ASIGMAR1HPGDOPRK1
SCHEMBL6407167 0.85 CA1 (0.42) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL6401375 0.84 NPC1 (0.39) NPC1RAB9ASIGMAR1LMNAALDH1A1
SCHEMBL6404812 0.83 NPC1 (0.40) NPC1RAB9ASIGMAR1HPGDOPRK1
SCHEMBL6409464 0.81 ALOX5 (0.42) ALDH1A1LIMK2
SCHEMBL6402831 0.81 OPRK1 (0.45) NPC1RAB9ASIGMAR1HPGDOPRK1
SCHEMBL6402653 0.80 CTSS (0.47) NPC1RAB9ASIGMAR1LMNAMAPT

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 4 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 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 (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 NPC1 972/4885RAB9A 2791/4885SIGMAR1 2372/4885

“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.