SCHEMBL2220244

SCHEMBL2220244

O=Cc1ccc(S(F)(F)(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 2/20 0.41
TYR P14679 1/20 0.41
CYP2A13 Q16696 1/20 0.41
ALDH1A3 P47895 2/20 0.38
ALDH3A1 P30838 1/20 0.38
PDE2A O00408 1/20 0.38
DRD1 P21728 1/20 0.38
EGFR P00533 1/20 0.37
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
PTGS2 P35354 1/20 0.36
RAB9A P51151 1/20 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
SCHEMBL31171 0.76 CYP2A6 (0.69) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL1970199 0.76 PDE2A (0.52) PDE2A
SCHEMBL4956384 0.76 CYP2A6 (0.69) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL13485733 0.74 ALDH1A1 (0.58) ALDH1A1PDE2A
Hydrochloric Acid SCHEMBL28807787 0.73 CYP2A6 (0.65) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
Water SCHEMBL29197442 0.73 CYP2A6 (0.65) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
Phosphine SCHEMBL27461872 0.73 CYP2A6 (0.65) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL30462334 0.72 ALDH1A1 (0.48) CYP2A6ALDH1A1KDM4ETRIM24TRIM33
SCHEMBL14320530 0.72 ALDH1A1 (0.48) CYP2A6ALDH1A1KDM4ETRIM24TRIM33
SCHEMBL17431624 0.70 NFE2L2 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250334881-A1 RADIATION SENSITIVE RESIN COMPOSITION, PATTERN FORMING METHOD, RADIATION SENSITIVE ACID GENERATOR, AND ACID DIFFUSION CONTROL AGENT JSR CORPORATION (JP) 2025-10-30 US disclosed
CN-119707931-A Intermediate and synthesis method of 1- (1-oxo-1, 2-dihydro-phthalazin-6-yl) cycloalkyl-1-carboxamide derivatives as MTA synergistic inhibitors of PRMT5 百济神州(北京)生物科技有限公司 2025-03-28 CN disclosed
WO-2023223624-A1 RADIATION SENSITIVE RESIN COMPOSITION, PATTERN FORMING METHOD, RADIATION SENSITIVE ACID GENERATOR, AND ACID DIFFUSION CONTROL AGENT JSR株式会社 2023-11-23 WO disclosed
CN-114685505-A Imidazopyrrolopyridines as JAK family kinase inhibitors 詹森药业有限公司 2022-07-01 CN disclosed
CN-110312719-B Imidazopyrrolopyridines as JAK family kinase inhibitors 詹森药业有限公司 2022-04-15 CN disclosed
EP-3321257-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2018-05-16 EP disclosed
EP-3321257-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2018-05-16 EP disclosed
US-9868746-B2 Substituted 5-aminothieno[2,3-C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2018-01-16 US disclosed
US-9868746-B2 Substituted 5-aminothieno[2,3-C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2018-01-16 US disclosed
US-9868746-B2 Substituted 5-aminothieno[2,3-C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2018-01-16 US disclosed
CN-1930153-A Pentafluorosulfanyl compounds, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed
CN-1930156-A Oxidized thioether derivatives of styryl-azoles and their use as HER tyrosine kinases inhibitors HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed
EP-1725549-A1 PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2006122777-A2 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS Grünenthal GmbH (DE) 2006-11-23 WO disclosed
CN-1867567-A 2-' (E) -2- (phenyl) vinyl-4- (arylalkoxy) -oxazole or-thiazole compounds as HER-2 tyrosine kinase inhibitors and their use in the treatment of cancer HOFFMANN LA ROCHE (CH) 2006-11-22 CN disclosed
EP-1680417-A1 1-'(E)-2-(PHENYL)ETHENYL-4-(ARYLALKOXY)-OXAZOLE OR -THIAZOLE COMPOUNDS AS HER-2 TYROSINE KINASES INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2006-07-19 EP disclosed
WO-2005095388-A1 PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-13 WO disclosed
US-20050197370-A1 Novel pentafluorosulfanyl compounds HOFFMANN-LA ROCHE INC. 2005-09-08 US disclosed
US-20050124670-A1 Novel arylazole derivatives, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-06-09 US disclosed
WO-2005040158-A1 1-′(E)-2-(PHENYL) ETHENYL-4-(ARYLALKOXY)-OXAZOLE OR - THIAZOLE COMPOUNDS AS HER-2 TYROSINE KINASES INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN - LA ROCHE AG (CH) 2005-05-06 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-20050197370-A1 Novel pentafluorosulfanyl compounds SF3B5, SF3B1, SF3B3 CYP2A6 285/4885HSD17B10 308/4885ALDH5A1 210/4885
US-20050124670-A1 Novel arylazole derivatives, their manufacture and use as pharmaceutical agents CYP3A43, CYP3A5, CYP1A1 CYP2A6 46/4885HSD17B10 627/4885ALDH5A1 84/4885

“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.