SCHEMBL246739

SCHEMBL246739

O=S(=O)(O)CC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPP5A Q14642 1/20 0.52
ALOX5 P09917 2/20 0.33
EPHX1 P07099 3/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32
ACLY P53396 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 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
SCHEMBL5648100 0.97 INPP5A (0.50) INPP5AALOX5EPHX1HPGDKMT2A
SCHEMBL6957998 0.97 INPP5A (0.50) INPP5AALOX5EPHX1HPGDKMT2A
Hydrochloric Acid SCHEMBL27851279 0.97 INPP5A (0.56) INPP5AALOX5EPHX1HPGDKMT2A
SCHEMBL28296964 0.97 INPP5A (0.50) INPP5AALOX5EPHX1HPGDKMT2A
SCHEMBL5669891 0.97 INPP5A (0.50) INPP5AALOX5EPHX1HPGDKMT2A
SCHEMBL6965666 0.95 INPP5A (0.48) INPP5AALOX5EPHX1HPGDKMT2A
Hydrochloric Acid SCHEMBL28059252 0.95 INPP5A (0.54) INPP5AALOX5EPHX1HPGDKMT2A
SCHEMBL7402518 0.95 INPP5A (0.48) INPP5AALOX5EPHX1HPGDKMT2A
SCHEMBL3961106 0.94
Hydrochloric Acid SCHEMBL28307160 0.92 INPP5A (0.56) INPP5AALOX5ACLYADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574175-B Quinoline compound, preparation method and application thereof 南京长澳医药科技有限公司 2023-11-14 CN disclosed
WO-2022070288-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND 旭化成ファーマ株式会社 2022-04-07 WO disclosed
CN-112574175-A Quinoline compound, preparation method and application thereof 上海阳帆医药科技有限公司 2021-03-30 CN disclosed
WO-2021039800-A1 METHOD FOR PREPARING ENANTIOMER OF SULFOXIDE COMPOUND, AND SYSTEM FOR PREPARING ENANTIOMER 学校法人東京理科大学 2021-03-04 WO disclosed
US-20190047968-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES FMC CORP (US) 2019-02-14 US disclosed
US-10081608-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides FMC CORPORATION (US) 2018-09-25 US disclosed
EP-2041825-B1 FUEL CELLS ACAL ENERGY LTD (GB) 2017-11-22 EP disclosed
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2017-05-11 US disclosed
US-9573909-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides FMC CORPORATION (US) 2017-02-21 US disclosed
EP-3020709-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES FMC CORPORATION (US) 2016-05-18 EP disclosed
US-20100113410-A1 PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-06 US disclosed
EP-2065388-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-06-03 EP disclosed
CN-101421257-A Agents that disrupt cellular replication and their use in inhibiting pathological conditions EUROPEAN MOLECULAR BIOLOGY LAB EMBL (DE) 2009-04-29 CN disclosed
US-20080182906-A1 Novel Specific Caspase-10 Inhibitors MERCK PATENT GMBH (DE) 2008-07-31 US disclosed
EP-1881960-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS Merck Patent GmbH (DE) 2008-01-30 EP disclosed
WO-2006114190-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2006-11-02 WO disclosed
EP-0635485-B1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 1997-06-11 EP disclosed
US-5554581-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-09-10 US disclosed
US-5506190-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-04-09 US disclosed
EP-0635485-A1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 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 (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-20080182906-A1 Novel Specific Caspase-10 Inhibitors CASP10, CASP1, CASP2 INPP5A 3710/4885ALOX5 1715/4885EPHX1 2501/4885
US-10081608-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides DDT, AADAC, DAZAP1 INPP5A 213/4885ALOX5 448/4885EPHX1 1464/4885
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 INPP5A 213/4885ALOX5 448/4885EPHX1 1464/4885
US-20100113410-A1 PYRAZOLOPYRIMIDINE DERIVATIVE HSP90AB1, HSP90B1, HSP90AA1 INPP5A 2756/4885ALOX5 4440/4885EPHX1 2904/4885
US-20190047968-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 INPP5A 213/4885ALOX5 448/4885EPHX1 1464/4885

“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.