SCHEMBL1473470

SCHEMBL1473470

CC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
STS P08842 1/20 0.38
CREBBP Q92793 1/20 0.38
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
NOTUM Q6P988 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
POLB P06746 1/20 0.36
CYP2A6 P11509 1/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL14616750 0.85 NOTUM (0.53) STSNOTUMALDH1A1KMT2AMAPT
SCHEMBL6314588 0.85 LMNA (0.47) HSD11B1STSCREBBPAKR1C3AKR1C2
SCHEMBL9300174 0.84 AKR1C3 (0.44) HSD11B1STSCREBBPAKR1C3AKR1C2
SCHEMBL881308 0.84 CA12 (0.50) CREBBPALDH1A1MEN1KMT2APOLB
SCHEMBL4705593 0.84 AKR1C3 (0.48) HSD11B1AKR1C3AKR1C2
SCHEMBL6139341 0.84 ESRRA (0.46) HSD11B1STSCREBBPAKR1C3AKR1C2
SCHEMBL2311506 0.82 RARA (0.43) HSD11B1STSCREBBPAKR1C3AKR1C2
SCHEMBL6645216 0.81 ALDH1A1 (0.40) HSD11B1STSCREBBPAKR1C3AKR1C2
SCHEMBL1320505 0.80 AKR1C3 (0.42) HSD11B1CREBBPAKR1C3AKR1C2NOTUM
SCHEMBL27531999 0.80 AKR1C3 (0.44) HSD11B1CREBBPAKR1C3AKR1C2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765784-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
US-8765784-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
US-8765784-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
US-20130210768-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
US-20130210768-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
US-20130210768-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
EP-2579717-A2 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Merck Sharp & Dohme Corp. (US) 2013-04-17 EP disclosed
EP-1861359-B1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER (US) 2012-11-14 EP disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
WO-2011156245-A2 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2011-12-15 WO disclosed
US-6949536-B2 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER, INC. (US) 2005-09-27 US disclosed
US-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER INC. 2004-08-12 US disclosed
EP-1086097-B1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER (US) 2004-05-19 EP disclosed
US-6727238-B2 CYCLOOXYGENASE INHIBITORS PFIZER INC. 2004-04-27 US disclosed
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2003-12-04 US disclosed
US-6608095-B2 Sulfonylbenzene and sulfonamidobenzene compounds which inhibit COX-2; treatment of a medical condition in which prostaglandins are implicated as pathogens PFIZER INC. 2003-08-19 US disclosed
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 US disclosed
US-6294558-B1 ANTIINFLAMMATORY AGENTS AND PROSTAGLANTINS PFIZER INC. 2001-09-25 US disclosed
EP-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 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 (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-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 HSD11B1 317/4885STS 875/4885CREBBP 1136/4885
US-20130210768-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 GRM2, GRM1, GRIA2 HSD11B1 3089/4885STS 3966/4885CREBBP 997/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 HSD11B1 304/4885STS 683/4885CREBBP 968/4885
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 HSD11B1 4644/4885STS 4398/4885CREBBP 570/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 HSD11B1 317/4885STS 875/4885CREBBP 1136/4885

“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.