SCHEMBL1384536

SCHEMBL1384536

Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2F)c(C)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 2/20 0.49
TRPV1 Q8NER1 1/20 0.47
NOTUM Q6P988 2/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 1/20 0.43
CCR1 P32246 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
NTRK1 P04629 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
PPARG P37231 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL1381451 0.91 NOTUM (0.47) NOTUMHPGDCNR1CNR2MAPT
SCHEMBL1378662 0.91 NOTUM (0.47) NOTUMGAAHPGDCNR1CNR2
SCHEMBL1379902 0.90 MAPT (0.48) TMPRSS4NOTUMKDM4ECCR1MAPT
SCHEMBL1383485 0.89 NOTUM (0.53) NOTUMHPGDCNR1CNR2MAPT
SCHEMBL1381188 0.89 TRPV1 (0.56) TMPRSS4TRPV1NOTUMCCR1MAPT
SCHEMBL1381155 0.88 NOTUM (0.49) NOTUMHPGDCNR1CNR2MAPT
SCHEMBL1379991 0.87 KDM4E (0.48) KDM4EHPGDRXFP1MAPTMAPK1
SCHEMBL1384522 0.86 NOTUM (0.47) NOTUMKDM4EGAAHPGDCNR1
SCHEMBL1382551 0.86 SMN1; SMN2 (0.52) NOTUMHPGDRXFP1CNR1CNR2
SCHEMBL1383455 0.85 RAB9A (0.54) TRPV1GAAHPGDCNR1CNR2

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 TMPRSS4 939/4885TRPV1 22/4885NOTUM 1646/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 TMPRSS4 443/4885TRPV1 409/4885NOTUM 1054/4885

“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.