SCHEMBL4066722

SCHEMBL4066722

COc1c(C(=O)O)sc(Cl)c1Br

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.41
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GPR35 Q9HC97 5/20 0.37
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
TPMT P51580 2/20 0.35
PTPRC P08575 2/20 0.35
PTPN2 P17706 2/20 0.35

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
SCHEMBL476321 0.81 PTPN1 (0.61) PTPN1HSD17B10ALDH1A1GPR35HPGD
SCHEMBL1760858 0.79 GPR35 (0.49) PTPN1HSD17B10ALDH1A1GPR35HPGD
SCHEMBL2761037 0.75 CA1 (0.39) PTPN1HSD17B10ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL11597062 0.73 CA1 (0.38) PTPN1HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL476185 0.71 PTPN1 (0.44) PTPN1ALDH1A1KDM4EHPGDPTPRC
SCHEMBL21858819 0.71 GPR35 (0.39) PTPN1ALDH1A1GPR35HPGDTSHR
SCHEMBL21612129 0.70 GPR35 (0.46) PTPN1ALDH1A1GPR35HPGDTSHR
SCHEMBL9371037 0.68 GPR35 (0.41) PTPN1HSD17B10ALDH1A1KDM4EGPR35
SCHEMBL18701562 0.67 PTPN1 (0.34) PTPN1HSD17B10ALDH1A1KDM4ETSHR
SCHEMBL9367169 0.67 ALDH1A1 (0.40) PTPN1HSD17B10ALDH1A1KDM4EGPR35

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330458-B1 N-( 1,2,4 TRIAZOLOAZINYL) THIOPHENESULFONAMIDE COMPOUNDS AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-06-03 EP disclosed
US-6645918-B1 N-(Triazolo(1,5-a)pyrimidinyl)thiophenesulfonamide compounds; postemergence herbicides; agriculture DOW AGROSCIENCES LLC 2003-11-11 US disclosed
US-20030199393-A1 N- ([1,2,4,] TRIAZOLOAZINYL) THIOPHENESULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES ARNDT KIM ERIC (US) 2003-10-23 US disclosed
EP-1330458-A1 N-( 1,2,4]TRIAZOLOAZINYL) THIOPHENESULFONAMIDE COMPOUNDS AS HERBICIDES Dow Agrosciences LLC (US) 2003-07-30 EP disclosed
US-6518222-B2 Prepared from 2-amino(1,2,4)triazolo(1,5-c)pyrimidine, 2-amino(1,2,4)triazolo(1,5-a)pyrimidine, and 2-amino(1,2,4)triazolo(1,5-a)pyridine compounds and thiophenesulfonyl chloride compounds DOW AGROSCIENCES LLC 2003-02-11 US disclosed
US-20020094935-A1 N-([1,2,4] triazoloazinyl) thiophenesulfonamide compounds and their use as herbicides DOW AGROSCIENCES LLC 2002-07-18 US disclosed
WO-2002038572-A1 N-([1,2,4]TRIAZOLOAZINYL) THIOPHENESULFONAMIDE COMPOUNDS AS HERBICIDES DOW AGROSCIENCES LLC (US) 2002-05-16 WO 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-20020094935-A1 N-([1,2,4] triazoloazinyl) thiophenesulfonamide compounds and their use as herbicides PNPO, NAT1, DDT PTPN1 9/4885HSD17B10 4172/4885ALDH1A1 1169/4885
US-20030199393-A1 N- ([1,2,4,] TRIAZOLOAZINYL) THIOPHENESULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES NAT1, TST, TASP1 PTPN1 12/4885HSD17B10 3864/4885ALDH1A1 730/4885

“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.