SCHEMBL2438809

SCHEMBL2438809

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(Cc2cccnc2)c1-c1ccccc1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.49
NAMPT P43490 6/20 0.47
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS2 P35354 1/20 0.40
LRRK2 Q5S007 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1382455 0.91 NR3C2 (0.51) NR3C2NAMPTALDH1A1LMNASMN1; SMN2
SCHEMBL1380175 0.84 NR3C2 (0.71) NR3C2NAMPTALDH1A1LMNASMN1; SMN2
SCHEMBL1381366 0.83 NR3C2 (0.69) NR3C2ALDH1A1HSD17B10PTGS2HTT
SCHEMBL4782937 0.83 KDM4E (0.45) NAMPTALDH1A1MAPK1HSD17B10LMNA
SCHEMBL1381824 0.82 NAMPT (0.48) NR3C2NAMPTALDH1A1LMNASMN1; SMN2
SCHEMBL1381372 0.81 NR3C2 (0.53) NR3C2ALDH1A1PTGS2HTTGAA
SCHEMBL1381755 0.80 NR3C2 (0.55) NR3C2ALDH1A1PTGS2GAA
SCHEMBL1381928 0.80 NR3C2 (0.55) NR3C2ALDH1A1SMN1; SMN2PTGS2HTT
SCHEMBL1382588 0.80 NR3C2 (0.55) NR3C2ALDH1A1HSD17B10PTGS2KDM4E
SCHEMBL1381035 0.79 NR3C2 (0.55) NR3C2ALDH1A1SMN1; SMN2PTGS2GAA

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 6 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 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 (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-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 NR3C2 119/4885NAMPT 1592/4885ALDH1A1 2251/4885

“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.