SCHEMBL1379991

SCHEMBL1379991

COc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)n(-c2ccccc2C(F)(F)F)c1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
HPGD P15428 4/20 0.48
RBP4 P02753 1/20 0.46
RXFP1 Q9HBX9 3/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL1382701 0.94 NR1H4 (0.47) KDM4EHPGDRBP4HTTMAPT
SCHEMBL1381080 0.94 MAPT (0.46) KDM4EHPGDRBP4RXFP1HTT
SCHEMBL1381868 0.92 RBP4 (0.43) KDM4EHPGDRBP4RXFP1HTT
SCHEMBL1383979 0.91 HSD17B10 (0.47) KDM4EHPGDRBP4MAPTSMN1; SMN2
SCHEMBL1384292 0.91 MAPT (0.60) KDM4EHPGDRXFP1HTTMAPT
SCHEMBL1380787 0.90 ALDH1A1 (0.50) KDM4EHPGDRBP4MAPTSMN1; SMN2
SCHEMBL1378563 0.90 KMT2A (0.50) RBP4RXFP1HTTMAPTSMN1; SMN2
SCHEMBL1380643 0.90 KDM4E (0.50) KDM4EHPGDHTTMAPTSMN1; SMN2
SCHEMBL1381902 0.89 RBP4 (0.59) KDM4EHPGDRBP4SMN1; SMN2MAPK1
SCHEMBL1382233 0.89 KMT2A (0.53) KDM4EHPGDRBP4MAPTMAPK1

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 KDM4E 4268/4885HPGD 328/4885RBP4 2183/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 KDM4E 1281/4885HPGD 329/4885RBP4 1005/4885

“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.