SCHEMBL2109904

SCHEMBL2109904

COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(CBr)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 14/20 0.68
CXCR3 P49682 2/20 0.64
PTGES O14684 1/20 0.64
TAS2R8 Q9NYW2 1/20 0.64
CNR1 P21554 1/20 0.62
CNR2 P34972 1/20 0.62
APLNR P35414 1/20 0.59
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57

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
SCHEMBL7365048 0.88 TAS2R14 (0.68) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL20594841 0.85 TAS2R14 (0.68) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL1888996 0.85 TAS2R14 (0.81) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL22501451 0.85 TAS2R14 (0.68) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL2445958 0.84 TAS2R14 (0.82) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL28729777 0.84 TAS2R14 (0.80) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL21773447 0.84 BMP1 (0.59) TAS2R14CXCR3PTGESTAS2R8APLNR
SCHEMBL24724011 0.83 TAS2R14 (0.62) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL31149240 0.83 TAS2R14 (0.55) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL24724004 0.81 TAS2R14 (0.80) TAS2R14CXCR3PTGESTAS2R8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695242-A1 NOVEL SUBSTITUTED PYRROLE COMPOUNDS, COMPOSITIONS COMPRISING THE SUBSTITUTED PYRROLE COMPOUND, AND METHODS OF USE THEREOF Meta Pharmaceuticals (HK) Limited (HK) 2026-02-18 EP disclosed
WO-2024212907-A1 NOVEL SUBSTITUTED PYRROLE COMPOUNDS, COMPOSITIONS COMPRISING THE SUBSTITUTED PYRROLE COMPOUND, AND METHODS OF USE THEREOF META PHARMACEUTICALS (HK) LIMITED (CN) 2024-10-17 WO disclosed
US-20230183228-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS PHARMA AG (CH) 2023-06-15 US disclosed
US-20230183228-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS PHARMA AG (CH) 2023-06-15 US disclosed
EP-4153585-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF Chinook Therapeutics Canada, Inc. (CA) 2023-03-29 EP disclosed
WO-2021234547-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF CHINOOK THERAPEUTICS CANADA, INC. (CA) 2021-11-25 WO disclosed
US-10683308-B2 Rapamycin analogs and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20190031683-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US disclosed
WO-2017044720-A1 RAPAMYCIN ANALOGS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2017-03-16 WO disclosed
US-20130345220-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2013-12-26 US disclosed
US-8569345-B2 Compounds and compositions as LXR modulators MOLTENI VALENTINA (US) 2013-10-29 US disclosed
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2012-08-23 US disclosed
US-8158662-B2 Compounds and compositions as LXR modulators HAMILTON (BM) 2012-04-17 US disclosed
US-20090325981-A1 Compounds and compositions as lxr modulators IRM LLC (BM) 2009-12-31 US disclosed
EP-1713799-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM, LLC (BM) 2006-10-25 EP disclosed
WO-2005077124-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2005-08-25 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 (6 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-20130345220-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 TAS2R14 4411/4885CXCR3 261/4885PTGES 621/4885
US-20190031683-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR TAS2R14 4466/4885CXCR3 1756/4885PTGES 3537/4885
US-10683308-B2 Rapamycin analogs and uses thereof RICTOR, MTOR, RPTOR TAS2R14 4466/4885CXCR3 1756/4885PTGES 3537/4885
US-20230183228-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF LDHA, LDHB, XDH TAS2R14 3827/4885CXCR3 3867/4885PTGES 1795/4885
US-20090325981-A1 Compounds and compositions as lxr modulators NR1H2, NR1H3, NR1H4 TAS2R14 4411/4885CXCR3 261/4885PTGES 621/4885
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 TAS2R14 4411/4885CXCR3 261/4885PTGES 621/4885

“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.