SCHEMBL851628

SCHEMBL851628

Fc1cccc(F)c1.O=S(=O)(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ACHE P22303 1/20 0.46
NFE2L2 Q16236 3/20 0.44
PARP1 P09874 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
PTPN1 P18031 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL27963700 0.90 ACHE (0.48) CES2CES1ACHENFE2L2PARP1
SCHEMBL5014205 0.90 CES2 (0.48) CES2CES1ACHENFE2L2PARP1
SCHEMBL27487823 0.87 TAAR1 (0.54) PTPN1CYP3A4PTGS1PTGS2
SCHEMBL27703350 0.86 CES2 (0.48) CES2CES1ACHENFE2L2PARP1
SCHEMBL1170349 0.85 MEN1 (0.50) CES2CES1ACHENFE2L2PTPN1
SCHEMBL287677 0.84 MAOB (0.43) CES2CES1ACHENFE2L2PARP1
SCHEMBL4618588 0.84 ACHE (0.74) CES2CES1ACHENFE2L2RAB9A
SCHEMBL27369528 0.82 CES2 (0.43) CES2CES1CA12CA1CA2
SCHEMBL13329 0.82
SCHEMBL67448 0.80 ALDH1A1 (0.52) NFE2L2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11911372-B2 Compounds CTXT PTY LTD (AU) 2024-02-27 US disclosed
US-20210213004-A1 Compounds CTXT PTY LTD (AU) 2021-07-15 US disclosed
US-20200138827-A1 SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2020-05-07 US disclosed
EP-3642184-A1 SMALL MOLECULE MODULATORS OF HUMAN STING Curadev Pharma Limited (GB) 2020-04-29 EP disclosed
WO-2018234805-A1 SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2018-12-27 WO disclosed
CN-106478843-B A kind of double oxime ester lightlike initiating agents containing thiphene ring and its preparation method and application 同济大学 2017-12-26 CN disclosed
CN-106749317-A A kind of azepine penthienate [2,3 d] pyrimidone benzsulfamide analog derivative and purposes 中国科学院新疆理化技术研究所 2017-05-31 CN disclosed
CN-106220618-A SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS 阿勒根公司 2016-12-14 CN disclosed
CN-103380115-B Sulfur derivatives as chemokine receptor modulators 阿勒根公司 2016-08-24 CN disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 WO disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
WO-2007087441-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed
US-6818772-B2 DIETETICS, SLEEP DISORDERS, EATING DISORDERS, SEXUAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ABBOTT LABORATORIES 2004-11-16 US disclosed
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor ABBVIE INC. 2003-12-11 US disclosed
WO-2003070244-A1 ANTAGONIST OF MELANIN CONCENTRATING HORMONE AND THEIR USES ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed
EP-0686873-B1 Color photographic element containing new epoxy scavengers for residual magenta coupler EASTMAN KODAK CO (US) 2000-04-19 EP disclosed
US-5543276-A DISCOLORATION INHIBITION EASTMAN KODAK COMPANY (US) 1996-08-06 US disclosed
EP-0686873-A1 Color photographic element containing new epoxy scavengers for residual magenta coupler EASTMAN KODAK COMPANY (US) 1995-12-13 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-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses CCR1, NLRP1, NLRP3 CES2 2356/4885CES1 391/4885ACHE 3532/4885
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor MCHR1, MCHR2, MC1R CES2 2237/4885CES1 3505/4885ACHE 1932/4885
US-20200138827-A1 SMALL MOLECULE MODULATORS OF HUMAN STING STING1, IRF3, CGAS CES2 4763/4885CES1 4122/4885ACHE 4849/4885
US-20210213004-A1 Compounds SLC10A1, ABCB11, REN CES2 662/4885CES1 921/4885ACHE 1366/4885
US-11911372-B2 Compounds SLC10A1, ABCB11, REN CES2 662/4885CES1 921/4885ACHE 1366/4885

“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.