SCHEMBL6402831

SCHEMBL6402831

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.45
OPRM1 P35372 3/20 0.45
SIGMAR1 Q99720 1/20 0.45
HPGD P15428 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6409473 0.88 NPC1 (0.41) OPRK1OPRM1SIGMAR1NPC1RAB9A
SCHEMBL6403794 0.85 SLC6A5 (0.41) OPRK1OPRM1NPC1RAB9ALMNA
SCHEMBL6401317 0.81 NPC1 (0.47) OPRK1OPRM1SIGMAR1HPGDNPC1
SCHEMBL6401314 0.80 CTSS (0.42) OPRK1SIGMAR1NPC1RAB9ALMNA
SCHEMBL6401362 0.72 RAB9A (0.45) OPRK1OPRM1SIGMAR1HPGDNPC1
SCHEMBL6404630 0.71 L3MBTL1 (0.44) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL7258293 0.71 L3MBTL1 (0.44) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL6401355 0.71 CTSS (0.41) ALDH1A1KMT2A
SCHEMBL6405210 0.70 NPC1 (0.43) OPRK1OPRM1SIGMAR1NPC1RAB9A
SCHEMBL6401370 0.70 L3MBTL1 (0.40) ALDH1A1MEN1KMT2A

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 OPRK1 3632/4885OPRM1 3772/4885SIGMAR1 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.