SCHEMBL6409458

SCHEMBL6409458

COc1ccc(NS(=O)(=O)CN(CCCc2ccccc2)C(=O)CC(C)CCNC(=O)c2cccc(NC(=O)O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NAMPT P43490 1/20 0.41
OPRK1 P41145 2/20 0.41
SENP1 Q9P0U3 1/20 0.41
LMNA P02545 4/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2B6 P20813 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
KMT2A Q03164 1/20 0.39
PAX8 Q06710 1/20 0.39
MITF O75030 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BACE1 P56817 1/20 0.39
HPGD P15428 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
SCHEMBL6404812 0.92 NPC1 (0.40) NPC1RAB9ANAMPTOPRK1SENP1
SCHEMBL6405210 0.91 NPC1 (0.43) NPC1RAB9ANAMPTOPRK1LMNA
SCHEMBL6403180 0.88 MMP3 (0.42) NPC1RAB9ALMNAKMT2ASMN1; SMN2
SCHEMBL6401362 0.87 RAB9A (0.45) NPC1RAB9ANAMPTOPRK1SIGMAR1
SCHEMBL6401317 0.87 NPC1 (0.47) NPC1RAB9ANAMPTOPRK1LMNA
SCHEMBL6403803 0.83 KMT2A (0.45) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL6407167 0.83 CA1 (0.42) NPC1RAB9ALMNAKMT2ASMN1; SMN2
SCHEMBL6401375 0.82 NPC1 (0.39) NPC1RAB9ALMNASIGMAR1SMN1; SMN2
SCHEMBL6409451 0.81 KMT2A (0.40) LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL6403042 0.79 HTT (0.41) RAB9ALMNAKMT2A

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-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
WO-2003024923-A1 SULFONAMIDE COMPOUNDS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-03-27 WO 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 2791/4885NAMPT 375/4885

“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.