Sugi Predict

Sugi Predict / Compounds / SCHEMBL514631

SCHEMBL514631

SCHEMBL514631

O=S(=O)(c1cc[c]cc1)C(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ EPAS1 Q99814 4/20 0.31
▸ HPGD P15428 1/20 0.31
▸ VEGFA P15692 2/20 0.31
▸ GLA P06280 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
SCHEMBL517898 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL719362 0.75 LMNA (0.50) LMNAALDH1A1SMN1; SMN2MAPT
Iodide SCHEMBL31414542 0.73 LMNA (0.49) LMNAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL9732244 0.73 CA1 (0.46) NPC1LMNAALOX15CASP1ALDH1A1
SCHEMBL11595081 0.73 MMP1 (0.30) —
SCHEMBL28000108 0.73 PSEN1 (0.31) —
SCHEMBL1490225 0.72 F2 (0.41) TP53CYP1A2
SCHEMBL23057068 0.71 CA1 (0.47) NPC1LMNAALOX15CASP1ALDH1A1
SCHEMBL8794134 0.71 LMNA (0.52) NPC1LMNAALOX15CASP1ALDH1A1
SCHEMBL23043678 0.71 ALDH1A1 (0.48) NPC1LMNAALOX15CASP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117597344-A Alkylamide substituted cyclic imidazoles and their use as pesticides 拜耳公司 2024-02-23 — — CN claimed
EP-4168409-A1 VMAT2 INHIBITORS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2023-04-26 — — EP claimed
CN-115996639-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2023-04-21 — — CN claimed
WO-2021105091-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 — — WO claimed
CN-117597344-A Alkylamide substituted cyclic imidazoles and their use as pesticides 拜耳公司 2024-02-23 — — CN disclosed
US-20240010647-A1 SUBSTITUTED PYRIDO[2,1-a]ISOQUINOLINES AS VMAT2 INHIBITORS NEUROCRINE BIOSCIENCES, INC. 2024-01-11 — — US disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 — — WO disclosed
US-11718618-B2 Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors NEUROCRINE BIOSCIENCES, INC. (US) 2023-08-08 — — US disclosed
US-20230159528-A1 VMAT2 INHIBITORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-05-25 — — US disclosed
EP-4168409-A1 VMAT2 INHIBITORS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2023-04-26 — — EP disclosed
CN-115996639-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2023-04-21 — — CN disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 — — WO disclosed
CN-102137841-A Ortho-substituted haloalkylsulfonanilide derivative and herbicide NISSAN CHEMICAL IND LTD 2011-07-27 — — CN disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 — — EP disclosed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 — — US disclosed
EP-0743938-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-27 — — EP disclosed
WO-1995021817-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-08-17 — — WO disclosed
US-4468494-A Polymeric pH-sensitive optical filter agents having hydrazone moieties attached thereto POLAROID CORPORATION (US) 1984-08-28 — — US disclosed
US-4269925-A PH-SENSITIVE ANTIFOGGING AGENTS HAVING AN ADDITION POLYMER BACKBONE WITH PENDANT ELECTRONEGATIVELY-SUBSTITUTED HYDROCARBYL HYDRAZINE GROUPS; PHOTO SELF-DEVELOPMENT FILMS POLAROID CORPORATION (US) 1981-05-26 — — US disclosed
US-4009181-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-02-22 — — US 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 (4 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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF NPC1 4637/4885LMNA 1993/4885ALOX15 3798/4885
US-11718618-B2 Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors SLC18A2, SLC6A2, SLC18A1 NPC1 183/4885LMNA 2737/4885ALOX15 2128/4885
US-20230159528-A1 VMAT2 INHIBITORS AND METHODS OF USE SLC18A2, SLC6A3, SLC6A2 NPC1 127/4885LMNA 3416/4885ALOX15 1902/4885
US-20240010647-A1 SUBSTITUTED PYRIDO[2,1-a]ISOQUINOLINES AS VMAT2 INHIBITORS SLC18A2, SLC6A2, SLC18A1 NPC1 183/4885LMNA 2737/4885ALOX15 2128/4885

“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.