SCHEMBL13629459

SCHEMBL13629459

CCc1ccc(NS(=O)(=O)c2ccc(OC)cc2)c(C)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.71
KEAP1 Q14145 2/20 0.62
GABRG2 P18507 1/20 0.59
GABRB3 P28472 1/20 0.59
GABRA3 P34903 1/20 0.59
CYTH2 Q99418 1/20 0.57
ALDH1A1 P00352 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
TSHR P16473 2/20 0.56
CYP2C9 P11712 1/20 0.56
SQSTM1 Q13501 1/20 0.56
NFE2L2 Q16236 1/20 0.56
HTT P42858 3/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL13852947 0.86 NPC1 (0.58) FFAR4KEAP1CYTH2ALDH1A1CYP2C9
SCHEMBL13852970 0.83 ALDH1A1 (0.60) FFAR4ALDH1A1KMT2AMEN1GAA
SCHEMBL13629390 0.82 ALDH1A1 (0.57) ALDH1A1NPSR1HTTKMT2AMEN1
SCHEMBL5955241 0.82 KEAP1 (0.53) FFAR4KEAP1ALDH1A1NPSR1TSHR
SCHEMBL13629343 0.80 NPC1 (0.52) FFAR4CYP2C9HTTKMT2ALMNA
SCHEMBL13615106 0.80 FFAR4 (0.72) FFAR4KEAP1GABRG2GABRB3GABRA3
SCHEMBL8752431 0.79 UCHL1 (0.71) KEAP1ALDH1A1NPSR1TSHRNFE2L2
SCHEMBL6928661 0.79 UCHL1 (0.71) KEAP1ALDH1A1NPSR1TSHRNFE2L2
SCHEMBL7320098 0.78 FFAR4 (0.60) FFAR4KEAP1GABRG2GABRB3GABRA3
SCHEMBL13629419 0.78 NPC1 (0.49) FFAR4ALDH1A1TP53NPC1RAB9A

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-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20090118277-A1 3 Unsubstituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-05-07 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-20090118277-A1 3 Unsubstituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK FFAR4 3554/4885KEAP1 529/4885GABRG2 3450/4885
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK FFAR4 3913/4885KEAP1 682/4885GABRG2 3478/4885

“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.