SCHEMBL6404802

SCHEMBL6404802

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.38
KAT6A Q92794 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
BACE1 P56817 3/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
LPAR1 Q92633 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 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
SCHEMBL6401370 0.84 L3MBTL1 (0.40) PTGDR2KMT2AMEN1ALDH1A1
SCHEMBL6404808 0.84 CASR (0.37) CASRKAT6APTGDR2KMT2ANR1H4
SCHEMBL6404630 0.78 L3MBTL1 (0.44) KMT2AMEN1ALDH1A1
SCHEMBL7258293 0.78 L3MBTL1 (0.44) KMT2AMEN1ALDH1A1
SCHEMBL6407163 0.77 CA1 (0.42) KMT2AMEN1ALDH1A1
SCHEMBL6409451 0.74 KMT2A (0.40) CASRPTGDR2KMT2AMEN1NR1H4
SCHEMBL6409442 0.71 SLC7A5 (0.39) CASRPTGDR2BACE1KMT2AMEN1
SCHEMBL5521753 0.70 HDAC3 (0.41) CASRKAT6ANR1H4KDM4EMAPT
SCHEMBL6408723 0.70 CA1 (0.41) KMT2AMEN1ALDH1A1
SCHEMBL7257821 0.70 L3MBTL1 (0.39) KDM4E

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 1067/4885KAT6A 3383/4885PTGDR2 2472/4885

“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.