SCHEMBL1383787

SCHEMBL1383787

Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2F)c(C)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49
NOTUM Q6P988 7/20 0.46
LCK P06239 2/20 0.44
MAPK14 Q16539 2/20 0.44
KDR P35968 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MYC P01106 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL1383627 0.94 NOTUM (0.50) CNR1CNR2NOTUMALDH1A1LMNA
SCHEMBL1381440 0.92 NOTUM (0.56) CNR1CNR2NOTUMMAPT
SCHEMBL1382551 0.91 SMN1; SMN2 (0.52) CNR1CNR2NOTUMALDH1A1LMNA
SCHEMBL1383485 0.90 NOTUM (0.53) CNR1CNR2NOTUMALDH1A1LMNA
SCHEMBL2439146 0.90 NOTUM (0.50) CNR1CNR2NOTUMALDH1A1LMNA
SCHEMBL1384522 0.89 NOTUM (0.47) CNR1CNR2NOTUMALDH1A1LMNA
SCHEMBL1382710 0.89 NOTUM (0.50) CNR1CNR2NOTUMALDH1A1LMNA
SCHEMBL1383004 0.88 CNR1 (0.48) CNR1CNR2NOTUMALDH1A1LMNA
SCHEMBL27674152 0.88 CNR1 (0.47) CNR1CNR2NOTUMALDH1A1LMNA
SCHEMBL1384323 0.87 CNR1 (0.47) CNR1CNR2NOTUMALDH1A1LMNA

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 CNR1 8/4885CNR2 13/4885NOTUM 1646/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 CNR1 44/4885CNR2 57/4885NOTUM 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.