SCHEMBL1378486

SCHEMBL1378486

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(CCN2CCCC2)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.79
TRPV4 Q9HBA0 4/20 0.40
SRC P12931 1/20 0.40
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PTGES O14684 1/20 0.37
PDE7A Q13946 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2438538 0.99 NR3C2 (0.78) NR3C2TRPV4SRCMAPTGAA
SCHEMBL1382916 0.94 NR3C2 (0.78) NR3C2TRPV4MAPTALDH1A1
SCHEMBL1383203 0.89 NR3C2 (0.64) NR3C2TRPV4MAPTGAARAB9A
SCHEMBL1381714 0.89 NR3C2 (1.00) NR3C2MAPTPTGESPDE7A
SCHEMBL29571805 0.89 NR3C2 (1.00) NR3C2MAPTPTGESPDE7A
SCHEMBL1380260 0.89 NR3C2 (0.61) NR3C2MAPTGAARAB9AALDH1A1
SCHEMBL2443017 0.89 NR3C2 (0.64) NR3C2MAPTGAARAB9AALDH1A1
SCHEMBL1383720 0.88 NR3C2 (0.60) NR3C2MAPTGAARAB9AALDH1A1
SCHEMBL1378883 0.87 NR3C2 (0.90) NR3C2TRPV4PTGESPDE7A
SCHEMBL2436034 0.87 NR3C2 (0.59) NR3C2MAPTGAARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US claimed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US claimed
US-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 US claimed
JP-4703649-B2 2011-06-15 JP claimed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
CN-101006052-B Pyrrole derivatives as pharmaceutical agents EXELIXIS INC 2013-11-06 CN disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 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 (2 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 NR3C2 119/4885TRPV4 264/4885SRC 1541/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 NR3C2 119/4885TRPV4 264/4885SRC 1541/4885

“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.