SCHEMBL1722652

SCHEMBL1722652

OCc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 3/20 0.55
HTT P42858 2/20 0.55
GAA P10253 1/20 0.55
PLAU P00749 1/20 0.54
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RAB9A P51151 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
GLA P06280 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C9 P11712 1/20 0.47

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
SCHEMBL30636549 0.86 TDP1 (0.55) TDP1L3MBTL1ALDH1A1HTTGAA
SCHEMBL16586047 0.86 TDP1 (0.55) TDP1L3MBTL1ALDH1A1HTTGAA
SCHEMBL3208283 0.83 TDP1 (0.59) TDP1L3MBTL1ALDH1A1HTTGAA
SCHEMBL31255154 0.83 TDP1 (0.59) TDP1L3MBTL1ALDH1A1HTTGAA
SCHEMBL11982024 0.81 TDP1 (0.58) TDP1L3MBTL1ALDH1A1HTTGAA
SCHEMBL9290492 0.81 TDP1 (0.58) TDP1L3MBTL1ALDH1A1HTTGAA
SCHEMBL2278694 0.81 TDP1 (0.58) TDP1L3MBTL1ALDH1A1HTTGAA
SCHEMBL31255260 0.81 TDP1 (0.58) TDP1L3MBTL1ALDH1A1HTTGAA
SCHEMBL635541 0.81 TDP1 (0.58) TDP1L3MBTL1ALDH1A1HTTGAA
SCHEMBL30478413 0.81 TDP1 (0.58) TDP1L3MBTL1ALDH1A1HTTGAA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107814759-A The preparation method of fluopicolide 常州沃腾化工科技有限公司 2018-03-20 CN claimed
CN-107216284-A The preparation method of the trifluoromethyl pyridine hydrochloride of 2 aminomethyl, 3 chlorine 5 杨子辉 2017-09-29 CN claimed
CN-119143663-A Method for preparing 2-aminomethyl-3-chloro-5-trifluoromethyl pyridine hydrochloride 阜新都创新材料科技有限公司 2024-12-17 CN disclosed
CN-115784976-A Improved preparation method of fluopicolide 武威广达科技有限公司 2023-03-14 CN disclosed
EP-3495360-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2019-06-12 EP disclosed
US-9926302-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-03-27 US disclosed
US-9926302-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-03-27 US disclosed
CN-107814759-A The preparation method of fluopicolide 常州沃腾化工科技有限公司 2018-03-20 CN disclosed
US-9879000-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-01-30 US disclosed
US-9879000-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-01-30 US disclosed
CN-107216284-A The preparation method of the trifluoromethyl pyridine hydrochloride of 2 aminomethyl, 3 chlorine 5 杨子辉 2017-09-29 CN disclosed
WO-2015158427-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-22 WO disclosed
WO-2015158427-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-22 WO disclosed
US-20150291572-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-15 US disclosed
US-20150291572-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-15 US disclosed
EP-2344450-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2011-07-20 EP disclosed
US-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 US disclosed
WO-2010036589-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. (US) 2010-04-01 WO disclosed
EP-1987024-A1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Ricerche di Biologia Molecolare P. Angeletti (IT) 2008-11-05 EP disclosed
WO-2007093827-A1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-08-23 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-20150291572-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES TRPV1, CACNA1B, CACNA1C TDP1 3563/4885L3MBTL1 4132/4885ALDH1A1 2565/4885
US-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D TDP1 3914/4885L3MBTL1 4377/4885ALDH1A1 489/4885

“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.