SCHEMBL1383979

SCHEMBL1383979

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RBP4 P02753 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
KCNMA1 Q12791 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
TP53 P04637 2/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 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
SCHEMBL1380787 0.91 ALDH1A1 (0.50) HSD17B10TSHRSMN1; SMN2RBP4MEN1
SCHEMBL1379991 0.91 KDM4E (0.48) HSD17B10POLBSMN1; SMN2RBP4KMT2A
SCHEMBL1378563 0.91 KMT2A (0.50) HSD17B10TSHRSMN1; SMN2RBP4MEN1
SCHEMBL1381902 0.90 RBP4 (0.59) POLBSMN1; SMN2RBP4MEN1KMT2A
SCHEMBL1382701 0.89 NR1H4 (0.47) POLBTSHRRBP4MEN1KMT2A
SCHEMBL1382233 0.89 KMT2A (0.53) POLBRBP4MEN1KMT2AALDH1A1
SCHEMBL1381692 0.88 RAB9A (0.50) HSD17B10POLBTSHRSMN1; SMN2MEN1
SCHEMBL1381868 0.87 RBP4 (0.43) HSD17B10POLBSMN1; SMN2RBP4ALDH1A1
SCHEMBL1379615 0.87 KCNMA1 (0.56) POLBSMN1; SMN2MEN1KMT2AKCNMA1
SCHEMBL1378662 0.87 NOTUM (0.47) HSD17B10POLBTSHRSMN1; SMN2KMT2A

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 HSD17B10 2768/4885POLB 2744/4885TSHR 144/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 HSD17B10 203/4885POLB 3372/4885TSHR 214/4885

“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.