SCHEMBL6404808

SCHEMBL6404808

COc1ccc(NS(=O)(=O)CN(CCCc2ccccc2)C(=O)N(CCC(C)C)C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.37
KMT2A Q03164 1/20 0.37
KAT6A Q92794 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
LPAR1 Q92633 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
LIMK2 P53671 1/20 0.35
HPGD P15428 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL6409451 0.91 KMT2A (0.40) CASRKMT2APTGDR2LPAR1LMNA
SCHEMBL6401373 0.86 MMP3 (0.40) KMT2AALDH1A1LIMK2MMP1MMP2
SCHEMBL6404802 0.84 CASR (0.38) CASRKMT2AKAT6APTGDR2LPAR1
SCHEMBL6404812 0.82 NPC1 (0.40) KMT2AKAT6ALMNAMAPTHPGD
SCHEMBL6403175 0.78 L3MBTL1 (0.45) LPAR1LMNAALDH1A1MAPTLIMK2
SCHEMBL6407165 0.78 CA1 (0.40) ALDH1A1LIMK2MMP1MMP2MMP3
SCHEMBL6401375 0.75 NPC1 (0.39) LMNAALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL6403038 0.74 CACNA1H (0.41) CASRKMT2ALMNAALDH1A1MAPT
SCHEMBL6409447 0.74 ALDH1A1 (0.45) CASRKMT2ALMNAALDH1A1MAPT
SCHEMBL6409458 0.73 NPC1 (0.42) KMT2ALMNAHPGDSMN1; SMN2

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 CASR 1067/4885KMT2A 2789/4885KAT6A 3383/4885

“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.