SCHEMBL1383689

SCHEMBL1383689

CC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
ALDH1A1 P00352 5/20 0.52
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 3/20 0.52
HPGD P15428 3/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 1/20 0.52
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
NPC1 O15118 4/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
KCNK3 O14649 2/20 0.43
KCNK9 Q9NPC2 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
SCHEMBL1380816 0.91 MAPT (0.55) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL1381030 0.90 MAPT (0.51) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL1380181 0.90 RAB9A (0.54) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL1380531 0.90 KCNK3 (0.53) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL2442539 0.90 MAPT (0.57) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL2029358 0.89 MAPT (0.50) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL1383455 0.89 RAB9A (0.54) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL1381614 0.89 LMNA (0.54) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL1383349 0.89 MAPT (0.49) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL1379809 0.88 MAPT (0.56) MAPTALDH1A1RAB9ASMN1; SMN2LMNA

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 MAPT 2014/4885ALDH1A1 2251/4885RAB9A 2543/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 MAPT 4352/4885ALDH1A1 1665/4885RAB9A 4605/4885

“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.