SCHEMBL6401544

SCHEMBL6401544

COc1ccc(NS(=O)(=O)CN(CCCc2ccccc2)C(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3csc(Nc4cccnc4)n3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
MAPT P10636 9/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CSNK2A1 P68400 1/20 0.42
RAB9A P51151 8/20 0.42
NPC1 O15118 7/20 0.42
ADORA3 P0DMS8 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 4/20 0.41
ALOX5 P09917 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
MCL1 Q07820 1/20 0.41
RECQL P46063 1/20 0.41
USP2 O75604 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
SCHEMBL7256300 0.86 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6401550 0.85 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6403319 0.85 USP30 (0.45) KMT2AMAPTALDH1A1LMNARAB9A
SCHEMBL6401358 0.83 CTSS (0.45) RAB9ANPC1
SCHEMBL6402653 0.81 CTSS (0.47) MAPTLMNARAB9ANPC1
SCHEMBL6404582 0.80 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6404090 0.80 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1LMNA
Bromide SCHEMBL6402414 0.80 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7258237 0.79 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6403176 0.77 LPAR1 (0.45) KMT2AALDH1A1ALOX5

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 8 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
US-6872690-B2 Herbicidal 2-alkynyl-pyri (mi) dines WYETH (US) 2005-03-29 US disclosed
US-20030158231-A1 Sulfonamide compounds as protease inhibitors Celera Corporation 2003-08-21 US disclosed
US-20030073581-A1 Herbicidal 2-alkynyl-pyri (mi) dines WYETH 2003-04-17 US disclosed
WO-2003024923-A1 SULFONAMIDE COMPOUNDS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-03-27 WO disclosed
EP-1238586-A1 Herbicidal 2-alkynyl-pyri(mi)dines BASF AKTIENGESELLSCHAFT (DE) 2002-09-11 EP 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 (2 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-20030073581-A1 Herbicidal 2-alkynyl-pyri (mi) dines DDT, AOX1, RIOX2 MEN1 4023/4885KMT2A 1361/4885MAPT 4662/4885
US-20030158231-A1 Sulfonamide compounds as protease inhibitors PRSS1, PRSS3, SPINT2 MEN1 4533/4885KMT2A 2789/4885MAPT 2884/4885

“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.