SCHEMBL4061102

SCHEMBL4061102

COc1cc(C(F)(F)F)sc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.41
DAO P14920 1/20 0.41
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA3 P07451 1/20 0.38
PKM P14618 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 1/20 0.38
TPMT P51580 1/20 0.37
LCK P06239 2/20 0.36

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
SCHEMBL4062812 0.85 MAPT (0.42) PKMKDM4ETSHR
SCHEMBL1971165 0.83 TSHR (0.41) DAOMAPK1LMNALCKFYN
SCHEMBL18701674 0.77 HTT (0.49) PTPN1CA12CA1CA2CA7
SCHEMBL12153753 0.77 DAO (0.44) DAOPKMKDM4E
SCHEMBL6179820 0.74 DAO (0.44) PTPN1DAOCA12CA1CA2
SCHEMBL5154511 0.74 MAPT (0.43) PTPN1CA12CA1CA2CA7
SCHEMBL833851 0.74 DAO (0.46) DAOCA12CA1CA2CA7
SCHEMBL9526014 0.74 PKM (0.46) PTPN1CA12CA1CA2CA7
SCHEMBL8307439 0.73 DAO (0.42) PTPN1DAOCA12CA1CA2
SCHEMBL22833208 0.73 LCK (0.47) PTPN1CA12CA1CA2CA7

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 9/4885DAO 39/4885CA12 4727/4885
US-20030199393-A1 N- ([1,2,4,] TRIAZOLOAZINYL) THIOPHENESULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES NAT1, TST, TASP1 PTPN1 12/4885DAO 8/4885CA12 4556/4885

“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.