SCHEMBL6401366

SCHEMBL6401366

CCC(C)[C@H](NC(=O)O)C(=O)N(CCCc1ccccc1)CS(=O)(=O)Nc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
MMP3 P08254 5/20 0.40
LIMK2 P53671 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
MMP1 P03956 4/20 0.39
MMP2 P08253 4/20 0.39
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
ALOX5 P09917 1/20 0.39
LPAR1 Q92633 1/20 0.39
MGAT2 Q10469 1/20 0.39
BMP1 P13497 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 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
SCHEMBL6401353 0.87 MEN1 (0.40) ALDH1A1KMT2AMMP1MGAT2MAPK1
SCHEMBL6403176 0.85 LPAR1 (0.45) MMP3LIMK2ALDH1A1KMT2AMMP1
SCHEMBL6407189 0.78 MMP3 (0.41) MMP3LIMK2ALDH1A1KMT2AMMP1
SCHEMBL6409464 0.76 ALOX5 (0.42) MMP3LIMK2ALDH1A1KMT2AMMP1
SCHEMBL6402653 0.76 CTSS (0.47) LIMK2LPAR1
SCHEMBL6403175 0.76 L3MBTL1 (0.45) MMP3LIMK2ALDH1A1MMP1MMP2
SCHEMBL6401369 0.76 ALOX5 (0.42) MMP3ALDH1A1KMT2AMMP1MMP2
SCHEMBL6403180 0.76 MMP3 (0.42) MMP3ALDH1A1KMT2AMMP1MMP2
SCHEMBL6408728 0.76 AR (0.41) MMP3LIMK2ALDH1A1KMT2AMMP1
SCHEMBL6401358 0.76 CTSS (0.45) LIMK2LPAR1

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 3 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

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 KEAP1 710/4885MMP3 66/4885LIMK2 4465/4885

“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.