SCHEMBL1875894

SCHEMBL1875894

CC(=O)O[C@@H]1CCC[C@H]1Oc1ccc(Br)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
MCHR1 Q99705 1/20 0.37
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
MEN1 O00255 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC18A3 Q16572 2/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCD Q05655 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL1875896 1.00 PTGS1 (0.39) PTGS1PTGS2MCHR1PARP15PARP10
SCHEMBL1874392 0.79 NPY1R (0.47) PTGS1PTGS2MCHR1PARP15PARP10
SCHEMBL1866957 0.79 NPY1R (0.47) PTGS1PTGS2MCHR1PARP15PARP10
SCHEMBL1874389 0.79 NPY1R (0.47) PTGS1PTGS2MCHR1PARP15PARP10
SCHEMBL1873334 0.79 MCHR1 (0.35) PTGS1PTGS2MCHR1PARP15PARP10
SCHEMBL1873337 0.79 MCHR1 (0.35) PTGS1PTGS2MCHR1PARP15PARP10
SCHEMBL1879285 0.77 ALDH1A1 (0.43) MEN1SLC18A3IDO1TDO2ALOX5
SCHEMBL1879284 0.77 ALDH1A1 (0.43) MEN1SLC18A3IDO1TDO2ALOX5
SCHEMBL1872466 0.76 KDM1A (0.44) PTGS1PTGS2MCHR1PARP15PARP10
SCHEMBL31338943 0.74 PTGS1 (0.48) PTGS1PTGS2MCHR1PARP10FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240051917-A1 HETEROCYCLIC SULFONAMIDES, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF BIOGEN MA INC (US) 2024-02-15 US disclosed
US-20190100491-A1 HETEROCYCLIC SULFONAMIDES, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. 2019-04-04 US disclosed
US-20170247360-A1 HETEROCYCLIC SULFONAMIDES, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF BIOGEN MA INC. 2017-08-31 US disclosed
US-20160272625-A1 HETEROCYCLIC SULFONAMIDES, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 2016-09-22 US disclosed
US-20140323502-A1 HETEROCYCLIC SULFONAMIDES, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF BIOGEN MA INC. 2014-10-30 US disclosed
EP-2445883-B1 HETEROCYCLIC SULFONAMIDES, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER (US) 2014-08-13 EP disclosed
US-20120322823-A1 HETEROCYCLIC SULFONAMIDES, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. 2012-12-20 US disclosed
US-8278457-B2 Heterocyclic sulfonamides, uses and pharmaceutical compositions thereof PFIZER INC. (US) 2012-10-02 US disclosed
EP-2445883-A1 HETEROCYCLIC SULFONAMIDES, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer Inc. (US) 2012-05-02 EP disclosed
US-20110105533-A1 Heterocyclic Sulfonamides, Uses and Pharmaceutical Compositions Thereof PFIZER INC. 2011-05-05 US disclosed
WO-2010150192-A1 HETEROCYCLIC SULFONAMIDES, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 2010-12-29 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 (7 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-20110105533-A1 Heterocyclic Sulfonamides, Uses and Pharmaceutical Compositions Thereof STS, SULT2A1, SULT1A1 PTGS1 730/4885PTGS2 788/4885MCHR1 3704/4885
US-20240051917-A1 HETEROCYCLIC SULFONAMIDES, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF STS, SULT2A1, SULT1A1 PTGS1 730/4885PTGS2 788/4885MCHR1 3704/4885
US-20120322823-A1 HETEROCYCLIC SULFONAMIDES, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF STS, SULT2A1, SULT1A1 PTGS1 730/4885PTGS2 788/4885MCHR1 3704/4885
US-20140323502-A1 HETEROCYCLIC SULFONAMIDES, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF STS, SULT2A1, SULT1A1 PTGS1 730/4885PTGS2 788/4885MCHR1 3704/4885
US-20160272625-A1 HETEROCYCLIC SULFONAMIDES, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF STS, SULT2A1, SULT1A1 PTGS1 730/4885PTGS2 788/4885MCHR1 3704/4885
US-20170247360-A1 HETEROCYCLIC SULFONAMIDES, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF STS, SULT2A1, SULT1A1 PTGS1 730/4885PTGS2 788/4885MCHR1 3704/4885
US-20190100491-A1 HETEROCYCLIC SULFONAMIDES, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF STS, SULT2A1, SULT1A1 PTGS1 730/4885PTGS2 788/4885MCHR1 3704/4885

“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.