SCHEMBL4065662

SCHEMBL4065662

COc1c(C(=O)O)sc(C(F)(F)F)c1SCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.45
FFAR1 O14842 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 2/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 5/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 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
SCHEMBL4063751 0.70 MAPT (0.39) PTPRCFFAR1MAPK1ALDH1A1CYP1A2
SCHEMBL4062814 0.70 GRIA2 (0.36) ALDH1A1GAAMAPTKMT2AHTT
SCHEMBL21772956 0.67 PTPRC (0.52) PTPRCFFAR1MAPK1ALDH1A1GAA
SCHEMBL31034587 0.67 CA12 (0.54) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31650336 0.65 MRGPRX4 (0.49) HPGDLMNAMAPTHTTNPC1
SCHEMBL11821719 0.64 RXRA (0.45) PTPRCALDH1A1CYP2C9LMNAMAPT
SCHEMBL1098130 0.64 MCL1 (0.57) MAPK1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL22587561 0.64 MAPT (0.52) FFAR1MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL29445409 0.64 MAPT (0.52) FFAR1MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL28450966 0.64 L3MBTL1 (0.51) PTPRCFFAR1MAPK1ALDH1A1GAA

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 PTPRC 983/4885FFAR1 3421/4885MAPK1 2411/4885
US-20030199393-A1 N- ([1,2,4,] TRIAZOLOAZINYL) THIOPHENESULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES NAT1, TST, TASP1 PTPRC 1463/4885FFAR1 2905/4885MAPK1 2349/4885

“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.