SCHEMBL6403176

SCHEMBL6403176

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.45
CTSK P43235 4/20 0.42
CTSS P25774 3/20 0.42
CTSL P07711 2/20 0.42
MMP3 P08254 5/20 0.41
LIMK2 P53671 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
MMP1 P03956 3/20 0.40
MMP2 P08253 3/20 0.40
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
ANPEP P15144 1/20 0.39
ALOX5 P09917 1/20 0.39
BMP1 P13497 2/20 0.39
FPR2 P25090 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
SCHEMBL6402653 0.89 CTSS (0.47) LPAR1CTSKCTSSCTSLLIMK2
SCHEMBL6401358 0.88 CTSS (0.45) LPAR1CTSKCTSSCTSLLIMK2
SCHEMBL6403319 0.86 USP30 (0.45) CTSKCTSSCTSLALDH1A1KMT2A
SCHEMBL6405206 0.86 CTSS (0.44) LPAR1CTSKCTSSCTSLLIMK2
SCHEMBL6401366 0.85 KEAP1 (0.41) LPAR1MMP3LIMK2ALDH1A1KMT2A
SCHEMBL6404595 0.82 LMNA (0.48) LPAR1CTSKCTSSCTSLMMP3
SCHEMBL6403800 0.82 ALDH1A1 (0.42) LPAR1MMP3ALDH1A1KMT2A
SCHEMBL6407189 0.79 MMP3 (0.41) LPAR1MMP3LIMK2ALDH1A1KMT2A
SCHEMBL6409464 0.77 ALOX5 (0.42) LPAR1MMP3LIMK2ALDH1A1KMT2A
SCHEMBL6403175 0.77 L3MBTL1 (0.45) LPAR1MMP3LIMK2ALDH1A1MMP1

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 LPAR1 4583/4885CTSK 43/4885CTSS 13/4885

“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.