Sugi Predict

Sugi Predict / Compounds / SCHEMBL513631

SCHEMBL513631

SCHEMBL513631

O=S(=O)(c1c[c]ccc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PTPRZ1 P23471 1/20 0.36
▸ KIF11 P52732 2/20 0.35
▸ CA2 P00918 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ P2RX1 P51575 1/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.33
▸ ESPL1 Q14674 1/20 0.33
▸ EPAS1 Q99814 3/20 0.33
▸ POLB P06746 1/20 0.32
▸ HTR6 P50406 1/20 0.30

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
SCHEMBL10884659 0.80 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6311791 0.77 HTR6 (0.33) ALDH1A1SMN1; SMN2CA2HTR6
SCHEMBL5923176 0.76 HTR6 (0.48) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL27514467 0.76 GAA (0.38) LMNAHTTSMN1; SMN2CA2MEN1
SCHEMBL3069454 0.74 ALDH1A1 (0.45) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL385126 0.74 LMNA (0.46) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL777153 0.73 HTR6 (0.50) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL28055 0.72 ENPP2 (0.39) HTR6
SCHEMBL3617107 0.72 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CA2HTR6
SCHEMBL11740151 0.72 HTR6 (0.33) ALDH1A1SMN1; SMN2CA2HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4146643-B1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2024-05-29 — — EP claimed
US-20230348432-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-11-02 — — US claimed
CN-116969925-A Heteroaryl-triazole compounds 拜耳公司 2023-10-31 — — CN claimed
EP-3904350-B1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}BENZAMIDE DERIVATIVES AND THE CORRESPONDING PYRIDINE-CARBOXAMIDE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2023-08-23 — — EP claimed
CN-115996639-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2023-04-21 — — CN claimed
EP-4146643-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2023-03-15 — — EP claimed
WO-2021224323-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-11-11 — — WO claimed
EP-3904350-A1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}BENZAMIDE DERIVATIVES AND THE CORRESPONDING PYRIDINE-CARBOXAMIDE DERIVATIVES AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-11-03 — — EP claimed
US-20210147387-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 — — US claimed
EP-3774778-A1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}BENZAMIDE DERIVATIVES AND THE CORRESPONDING PYRIDINE-CARBOXAMIDE DERIVATIVES AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-02-17 — — EP claimed
EP-1988902-B1 PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-23 — — EP claimed
EP-2373641-A1 PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-12 — — EP claimed
EP-2340835-A1 Piperidine and piperazine derivatives M's Science Corporation (JP) 2011-07-06 — — EP claimed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 — — US claimed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 — — WO claimed
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 — — US claimed
US-20090221607-A1 Piperazine Derivatives M'S SCIENCE CORPORATION (JP) 2009-09-03 — — US claimed
EP-1988902-A4 PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-05-06 — — EP claimed
EP-1988902-A2 PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-11-12 — — EP claimed
WO-2007097871-A2 PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-08-30 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20230348432-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES CYP4F3, CYP4X1, GLRX3 ALDH1A1 3747/4885LMNA 3318/4885MAPK1 4287/4885
US-20100137334-A1 Piperidine and Piperazine Derivatives SIGMAR1, OPRM1, OPRD1 ALDH1A1 509/4885LMNA 1662/4885MAPK1 2594/4885
US-20100152193-A1 PYRIDAZINONES PDE5A, PDE3A, PDE10A ALDH1A1 251/4885LMNA 2093/4885MAPK1 1315/4885
US-20210147387-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES CYP4F3, TARS2, H1-3 ALDH1A1 4004/4885LMNA 3707/4885MAPK1 4669/4885
US-20090221607-A1 Piperazine Derivatives SIGMAR1, OPRL1, OPRK1 ALDH1A1 305/4885LMNA 3325/4885MAPK1 2366/4885

“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.