SCHEMBL4063751

SCHEMBL4063751

COc1csc(C(F)(F)F)c1SCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
FFAR1 O14842 1/20 0.36
MAPK1 P28482 1/20 0.36
ELANE P08246 1/20 0.35
PKM P14618 2/20 0.35
POLB P06746 2/20 0.35
PTPRC P08575 1/20 0.35
MEN1 O00255 1/20 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
SCHEMBL4834129 0.74 ALDH1A1 (0.45) MAPTALDH1A1RAB9ANPSR1NPC1
SCHEMBL31172557 0.72 RAB9A (0.44) MAPTALDH1A1RAB9ANPSR1NPC1
SCHEMBL4065662 0.70 PTPRC (0.45) MAPTALDH1A1RAB9ANPSR1NPC1
SCHEMBL25318942 0.68 PPARG (0.47) MAPTALDH1A1RAB9ANPSR1L3MBTL1
SCHEMBL31172632 0.67 RAB9A (0.44) MAPTALDH1A1RAB9ANPSR1NPC1
SCHEMBL31650603 0.66 RAB9A (0.43) MAPTALDH1A1RAB9ANPSR1NPC1
SCHEMBL31172667 0.66 TP53 (0.48) MAPTALDH1A1RAB9ANPSR1NPC1
SCHEMBL31172708 0.66 RAB9A (0.46) MAPTALDH1A1RAB9ANPSR1NPC1
SCHEMBL31511206 0.66 ALDH1A1 (0.40) MAPTALDH1A1RAB9ANPSR1NPC1
SCHEMBL3888294 0.65 L3MBTL1 (0.55) MAPTALDH1A1RAB9AL3MBTL1HTT

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 MAPT 3758/4885ALDH1A1 1169/4885RAB9A 4314/4885
US-20030199393-A1 N- ([1,2,4,] TRIAZOLOAZINYL) THIOPHENESULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES NAT1, TST, TASP1 MAPT 3409/4885ALDH1A1 730/4885RAB9A 4167/4885

“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.