SCHEMBL2439938

SCHEMBL2439938

Cc1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.57
MAPT P10636 4/20 0.57
NPSR1 Q6W5P4 2/20 0.57
MAPK1 P28482 1/20 0.57
GPR27 Q9NS67 5/20 0.54
AVPR2 P30518 1/20 0.54
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 3/20 0.53
LMNA P02545 3/20 0.53
HPGD P15428 2/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NR3C2 P08235 3/20 0.50
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2C19 P33261 1/20 0.47
PPARG P37231 1/20 0.47

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
SCHEMBL1383172 0.92 MAPT (0.53) NOTUMMAPTNPSR1MAPK1GPR27
SCHEMBL1380669 0.91 NOTUM (0.59) NOTUMMAPTNPSR1MAPK1GPR27
SCHEMBL2029241 0.89 MAPT (0.50) NOTUMMAPTNPSR1MAPK1GPR27
SCHEMBL1380541 0.87 GPR27 (0.55) NOTUMMAPTNPSR1MAPK1GPR27
SCHEMBL1380321 0.87 MAPT (0.53) MAPTNPSR1MAPK1GPR27AVPR2
SCHEMBL8273855 0.87 MAPT (0.53) NOTUMMAPTNPSR1MAPK1GPR27
SCHEMBL1381203 0.87 LMNA (0.56) NOTUMMAPTNPSR1MAPK1GPR27
SCHEMBL1380388 0.86 MAPT (0.52) MAPTNPSR1MAPK1GPR27AVPR2
SCHEMBL1381237 0.86 MAPT (0.52) MAPTNPSR1MAPK1GPR27AVPR2
SCHEMBL2027912 0.86 NR3C2 (0.53) MAPTNPSR1MAPK1GPR27AVPR2

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 NOTUM 1646/4885MAPT 2014/4885NPSR1 4/4885

“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.