SCHEMBL1382075

SCHEMBL1382075

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(CC2CC2)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.76
ELANE P08246 2/20 0.44
PDE7A Q13946 2/20 0.38
PTPRC P08575 1/20 0.38
S1PR1 P21453 1/20 0.38
PDE4A P27815 1/20 0.37
CCR8 P51685 1/20 0.37
NR3C1 P04150 1/20 0.37
AVPR2 P30518 1/20 0.36
GPR27 Q9NS67 1/20 0.36
RBP4 P02753 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CRACR2A Q9BSW2 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
SCHEMBL16259498 0.88 NR3C2 (0.58) NR3C2ELANEPDE7AS1PR1PDE4A
SCHEMBL2437547 0.88 NR3C2 (0.69) NR3C2
SCHEMBL17646149 0.87 NR3C2 (0.81) NR3C2PDE7APTPRCPDE4AAVPR2
SCHEMBL21695898 0.87 NR3C2 (0.58) NR3C2ELANEPTPRCNR3C1CRACR2A
SCHEMBL2438516 0.86 NR3C2 (0.56) NR3C2ELANEPDE7AS1PR1PDE4A
SCHEMBL29571805 0.86 NR3C2 (1.00) NR3C2PDE7APTPRCS1PR1PDE4A
SCHEMBL1381714 0.86 NR3C2 (1.00) NR3C2PDE7APTPRCS1PR1PDE4A
SCHEMBL1381434 0.86 NR3C2 (0.79) NR3C2PDE7APTPRCPDE4AAVPR2
SCHEMBL1383565 0.86 NR3C2 (0.79) NR3C2PDE7APTPRCPDE4AAVPR2
SCHEMBL1381392 0.85 NR3C2 (0.77) NR3C2PDE7APTPRCPDE4AAVPR2

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-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-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 US disclosed
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-11-27 US disclosed
WO-2013079223-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORϒ, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2013-06-06 WO 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-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-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

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-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC NR3C2 33/4885ELANE 4026/4885PDE7A 2259/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 NR3C2 119/4885ELANE 3072/4885PDE7A 258/4885

“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.