SCHEMBL1381045

SCHEMBL1381045

CCS(=O)(=O)c1cccc(-c2ccccc2-n2c(C)cc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
USP28 Q96RU2 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
AVPR2 P30518 1/20 0.39
GPR27 Q9NS67 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
SCHEMBL1381543 0.92 NR3C2 (0.51) NR3C2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1380670 0.88 ALDH1A1 (0.47) NR3C2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2027912 0.88 NR3C2 (0.53) NR3C2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1381289 0.87 NR3C2 (0.47) NR3C2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1379722 0.87 NR3C2 (0.52) NR3C2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1380932 0.87 NOTUM (0.44) NR3C2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1384147 0.87 NR3C2 (0.43) NR3C2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5273758 0.86 ALDH1A1 (0.47) NR3C2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1382182 0.86 MAPT (0.45) NR3C2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1381454 0.86 ALDH1A1 (0.45) NR3C2ALDH1A1LMNAMAPTSMN1; SMN2

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
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
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-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 NR3C2 119/4885ALDH1A1 2251/4885LMNA 4213/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 NR3C2 10/4885ALDH1A1 1665/4885LMNA 2007/4885

“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.