SCHEMBL6401362

SCHEMBL6401362

COc1ccc(NS(=O)(=O)CN(CCCc2ccccc2)C(=O)CC(C)CCNC(=O)c2ccncc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
OPRK1 P41145 5/20 0.42
SIGMAR1 Q99720 1/20 0.41
OPRM1 P35372 2/20 0.40
NAMPT P43490 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HPGD P15428 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL6401317 0.91 NPC1 (0.47) RAB9ANPC1OPRK1SIGMAR1OPRM1
SCHEMBL6403180 0.89 MMP3 (0.42) RAB9ANPC1KMT2AMEN1MMP1
SCHEMBL6405210 0.87 NPC1 (0.43) RAB9ANPC1OPRK1SIGMAR1OPRM1
SCHEMBL6409458 0.87 NPC1 (0.42) RAB9ANPC1OPRK1SIGMAR1NAMPT
SCHEMBL6407167 0.85 CA1 (0.42) RAB9ANPC1KMT2AMMP1MMP2
SCHEMBL6401375 0.84 NPC1 (0.39) RAB9ANPC1SIGMAR1MMP1MMP2
SCHEMBL6404812 0.83 NPC1 (0.40) RAB9ANPC1OPRK1SIGMAR1NAMPT
SCHEMBL6401550 0.83 MEN1 (0.47) RAB9ANPC1NAMPTKMT2AMEN1
SCHEMBL6409464 0.81 ALOX5 (0.42) KMT2AMMP1MMP2MMP3PDE4A
SCHEMBL6401358 0.80 CTSS (0.45) RAB9ANPC1

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 RAB9A 2791/4885NPC1 972/4885OPRK1 3632/4885

“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.