SCHEMBL1127626

SCHEMBL1127626

[CH]1c2ccccc2Sc2cccc(-c3ccccc3)c21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
GPR84 Q9NQS5 11/20 0.39
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
BCL2L1 Q07817 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAPK1 P28482 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
PTGS2 P35354 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL6891983 0.75 GPR84 (0.45) GPR84ALDH1A1PTGS2
SCHEMBL216861 0.74 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL21410543 0.73 ALDH1A1 (0.35) TRPA1GPR84ALDH1A1HPGDMAPK1
SCHEMBL168345 0.72 TRPA1 (0.56) TRPA1GPR84ALDH1A1HPGDMAPK1
SCHEMBL21410297 0.71 ALDH1A1 (0.38) TRPA1GPR84ALDH1A1HPGDMAPK1
SCHEMBL16869965 0.70 ALOX5 (0.46) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL6891987 0.69 FABP3 (0.35) TRPA1GPR84ALDH1A1
SCHEMBL11220014 0.69 TRPA1 (0.38) TRPA1GPR84
SCHEMBL2070368 0.69 TRPA1 (0.38) TRPA1GPR84HPGDPTGS2
SCHEMBL21410178 0.68 GABRG2 (0.33) GPR84ALDH1A1HPGD

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023186842-A1 SYNTHESIS OF ISOMERICALLY PURE POLYOL-BASED PHOSPHORAMIDITES F. HOFFMANN-LA ROCHE AG (CH) 2023-10-05 WO claimed
US-20240045330-A1 NEGATIVE PHOTOSENSITIVE COMPOSITION AND PATTERN FORMATION METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2024-02-08 US disclosed
CN-117420731-A Negative photosensitive composition and pattern forming method 东京应化工业株式会社 2024-01-19 CN disclosed
CN-113286781-B Sulfonium salt, photoacid generator, curable composition, and resist composition 三亚普罗股份有限公司 2023-08-08 CN disclosed
US-20230236505-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, PATTERN FORMATION METHOD, AND LAMINATED FILM SAN-APRO LTD. (JP) 2023-07-27 US disclosed
CN-116018558-A Negative photosensitive resin composition, pattern forming method and laminated film 三亚普罗股份有限公司 2023-04-25 CN disclosed
EP-3909943-A1 SULFONIUM SALT, PHOTOACID GENERATOR, CURABLE COMPOSITION AND RESIST COMPOSITION San-Apro Ltd. (JP) 2021-11-17 EP disclosed
CN-113286781-A Sulfonium salt, photoacid generator, curable composition, and resist composition 三亚普罗股份有限公司 2021-08-20 CN disclosed
WO-2020145043-A1 SULFONIUM SALT, PHOTOACID GENERATOR, CURABLE COMPOSITION AND RESIST COMPOSITION サンアプロ株式会社 2020-07-16 WO disclosed
EP-3078717-B1 PHOTOBASE GENERATOR SAN APRO LTD (JP) 2020-05-20 EP disclosed
EP-3383924-A1 REDOX POLYMERIZABLE COMPOSITION WITH PHOTOLABILE REDUCING AGENTS 3M Innovative Properties Company (US) 2018-10-10 EP disclosed
US-9933701-B2 Photobase generator SAN APRO LTD. (JP) 2018-04-03 US disclosed
WO-2017095704-A1 REDOX POLYMERIZABLE COMPOSITION WITH PHOTOLABILE REDUCING AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-06-08 WO disclosed
US-20160299429-A1 PHOTOBASE GENERATOR SAN APRO LTD. (JP) 2016-10-13 US disclosed
EP-3078717-A1 PHOTOBASE GENERATOR San-Apro Limited (JP) 2016-10-12 EP disclosed
EP-2284165-B1 SULFONIUM SALT, PHOTOACID GENERATOR, PHOTO-CURABLE COMPOSITION, AND CURED PRODUCT OF THE PHOTO-CURABLE COMPOSITION SAN APRO LTD (JP) 2013-02-20 EP disclosed
US-8278030-B2 Sulfonium salt, photoacid generator, and photocurable composition and cured body thereof SAN-APRO LIMITED (JP) 2012-10-02 US disclosed
US-20110039205-A1 SULFONIUM SALT, PHOTOACID GENERATOR, AND PHOTOCURABLE COMPOSITION AND CURED BODY THEREOF SAN-APRO LIMITED (JP) 2011-02-17 US disclosed
EP-2284165-A1 PHOSPHONIUM SALT, PHOTOACID GENERATOR, PHOTO-CURABLE COMPOSITION, AND CURED PRODUCT OF THE PHOTO-CURABLE COMPOSITION San-Apro Limited (JP) 2011-02-16 EP 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-20160299429-A1 PHOTOBASE GENERATOR RER1, ARL1, ARF1 TRPA1 1224/4885GPR84 439/4885ALDH1A1 1895/4885
US-20110039205-A1 SULFONIUM SALT, PHOTOACID GENERATOR, AND PHOTOCURABLE COMPOSITION AND CURED BODY THEREOF ARSA, ASIC1, TST TRPA1 26/4885GPR84 629/4885ALDH1A1 1574/4885

“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.