SCHEMBL1380291

SCHEMBL1380291

Cc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.53
MAPT P10636 5/20 0.52
NPSR1 Q6W5P4 2/20 0.52
NOTUM Q6P988 2/20 0.52
MAPK1 P28482 1/20 0.52
TMPRSS4 Q9NRS4 1/20 0.52
KDR P35968 3/20 0.50
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 3/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 2/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
FLT1 P17948 2/20 0.48

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
SCHEMBL1383153 0.94 MAPT (0.52) GRM4MAPTNPSR1NOTUMMAPK1
SCHEMBL1379618 0.93 MAPT (0.51) GRM4MAPTNPSR1NOTUMMAPK1
SCHEMBL1384533 0.91 MAPT (0.51) MAPTNPSR1NOTUMMAPK1HTT
SCHEMBL1379617 0.90 MAPT (0.50) MAPTNPSR1NOTUMMAPK1TMPRSS4
SCHEMBL1380755 0.90 MAPT (0.53) GRM4MAPTNPSR1NOTUMMAPK1
SCHEMBL1383390 0.89 MAPT (0.66) MAPTNPSR1NOTUMMAPK1TMPRSS4
SCHEMBL1380616 0.89 MAPT (0.49) MAPTNPSR1NOTUMMAPK1TMPRSS4
SCHEMBL1379907 0.88 GRM4 (0.51) GRM4MAPTNPSR1NOTUMMAPK1
SCHEMBL1381756 0.87 TNF (0.48) MAPTNPSR1MAPK1HTTMEN1
SCHEMBL1379793 0.87 MAPT (0.55) GRM4MAPTNPSR1MAPK1MEN1

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 8 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-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-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
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-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 GRM4 70/4885MAPT 2014/4885NPSR1 4/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 GRM4 273/4885MAPT 4352/4885NPSR1 181/4885

“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.