SCHEMBL2440795

SCHEMBL2440795

Cc1cccc(C)c1-c1c(C)c(C(=O)Nc2ccccc2S(C)(=O)=O)cn1CCN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.46
MAPT P10636 4/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 2/20 0.40
CNR1 P21554 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR3C2 P08235 1/20 0.38
RCE1 Q9Y256 1/20 0.38
PABPC1 P11940 1/20 0.37
EIF4H Q15056 1/20 0.37
THRB P10828 1/20 0.37
TERT O14746 1/20 0.37

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
SCHEMBL1383525 0.84 NR3C2 (0.52) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL1380163 0.83 NR3C2 (0.53) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL4640127 0.78 CNR2 (0.46) CNR2MAPTTP53CNR1ALDH1A1
SCHEMBL4640016 0.77 CNR2 (0.45) CNR2MAPTTP53CNR1ALDH1A1
SCHEMBL1383720 0.76 NR3C2 (0.60) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL1381472 0.76 NR3C2 (0.54) MAPTL3MBTL1CNR1ALDH1A1KMT2A
SCHEMBL1379778 0.76 NR3C2 (0.53) MAPTTP53KMT2AMEN1GAA
SCHEMBL1380260 0.75 NR3C2 (0.61) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL1381074 0.74 NR3C2 (0.54) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL1378585 0.71 NR3C2 (0.59) MAPTL3MBTL1ALDH1A1KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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 CNR2 13/4885MAPT 2014/4885ATM 3620/4885

“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.