SCHEMBL1381980

SCHEMBL1381980

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(C)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.55
AVPR2 P30518 1/20 0.44
GPR27 Q9NS67 1/20 0.44
P2RX1 P51575 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
IDH1 O75874 1/20 0.44
TRPV4 Q9HBA0 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
IKBKB O14920 1/20 0.42
ELANE P08246 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
RAF1 P04049 1/20 0.42

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
SCHEMBL2026896 0.90 NR3C2 (0.56) NR3C2AVPR2GPR27IDH1TRPV4
SCHEMBL1382871 0.82 NR3C2 (0.53) NR3C2AVPR2GPR27MEN1KMT2A
SCHEMBL2439584 0.82 NR3C2 (0.79) NR3C2AVPR2GPR27LMNAPOLB
SCHEMBL1381352 0.82 NR3C2 (0.76) NR3C2AVPR2GPR27
SCHEMBL2028615 0.80 NR3C2 (0.52) NR3C2AVPR2GPR27MAOAMAOB
SCHEMBL2028425 0.79 NR3C2 (0.48) NR3C2AVPR2GPR27MAOAMAOB
SCHEMBL19206629 0.79 NR3C2 (0.71) NR3C2IDH1TRPV4LMNAPOLB
SCHEMBL1381613 0.79 NR3C2 (0.59) NR3C2AVPR2GPR27MEN1ALDH1A1
SCHEMBL2441786 0.78 NR3C2 (0.60) NR3C2AVPR2GPR27POLBMEN1
SCHEMBL1379381 0.78 NR3C2 (0.60) NR3C2AVPR2GPR27LMNAPOLB

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 4 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-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-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 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 (1 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-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 NR3C2 10/4885AVPR2 634/4885GPR27 144/4885

“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.