SCHEMBL1473538

SCHEMBL1473538

CC(C)(C)c1ccc(OS(=O)(=O)C(F)(F)F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HTR1D P28221 5/20 0.41
HTR1A P08908 4/20 0.41
HTR1B P28222 4/20 0.41
HSD11B1 P28845 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CXCR2 P25025 2/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
CXCR1 P25024 1/20 0.37
KIF11 P52732 2/20 0.36
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
CA9 Q16790 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
SCHEMBL30874866 1.00 ALDH1A1 (0.44) ALDH1A1HTR1DHTR1AHTR1BHSD11B1
SCHEMBL28741512 0.86 KIF11 (0.45) HTR1DHTR1AHTR1BHSD11B1CA1
SCHEMBL19179811 0.84 HSD11B1 (0.40) ALDH1A1HTR1DHTR1AHTR1BHSD11B1
SCHEMBL1980396 0.82 ALDH1A1 (0.43) ALDH1A1HTR1DHTR1AHTR1BHSD11B1
SCHEMBL9470326 0.80 ALDH1A1 (0.47) ALDH1A1HTR1DHTR1AHTR1BHSD11B1
SCHEMBL1473223 0.77 HTR1D (0.35) HTR1DHTR1AHTR1BHSD11B1CA1
SCHEMBL22444694 0.77 MAPK1 (0.47) ALDH1A1HTR1DHTR1AHTR1BHSD11B1
SCHEMBL17355686 0.76 HTR1D (0.43) HTR1DHTR1AHTR1BHSD11B1CA1
SCHEMBL17356309 0.76 HTR1D (0.43) ALDH1A1HTR1DHTR1AHTR1BHSD11B1
SCHEMBL7602878 0.75 CA1 (0.43) ALDH1A1HTR1DHTR1AHTR1BHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117956985-A Inhibitors of glycogen synthase 1 (GYS 1) and methods of use thereof 梅兹治疗公司 2024-04-30 CN disclosed
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 US disclosed
EP-1861359-B1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER (US) 2012-11-14 EP disclosed
US-20110152326-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS HANAZAWA TAKESHI 2011-06-23 US disclosed
US-7915448-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2011-03-29 US disclosed
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS PFIZER INC 2010-02-11 US disclosed
US-7622589-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2009-11-24 US disclosed
EP-1866278-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2007-12-19 EP disclosed
EP-1861359-A1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN Pfizer, Inc. (US) 2007-12-05 EP disclosed
WO-2006097817-A9 N- (N-SULFONYLAMINOMETHYL) CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER JAPAN INC (JP) 2006-12-07 WO disclosed
WO-2006103503-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-10-05 WO disclosed
WO-2006097817-A1 N- (N-SULFONYLAMINOMETHYL) CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER JAPAN INC. (JP) 2006-09-21 WO disclosed
US-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER, INC. 2006-09-21 US 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 (4 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-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof GYS2, GYS1, PYGL ALDH1A1 2458/4885HTR1D 2662/4885HTR1A 2664/4885
US-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists CNR1, HVCN1, CNR2 ALDH1A1 1314/4885HTR1D 23/4885HTR1A 110/4885
US-20110152326-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS OPRL1, CNR1, TRPV1 ALDH1A1 956/4885HTR1D 86/4885HTR1A 157/4885
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS CNR1, HVCN1, CNR2 ALDH1A1 1339/4885HTR1D 28/4885HTR1A 117/4885

“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.