SCHEMBL13615106

SCHEMBL13615106

COc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2C)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.72
KEAP1 Q14145 3/20 0.63
NFE2L2 Q16236 2/20 0.57
SQSTM1 Q13501 1/20 0.57
GABRG2 P18507 1/20 0.57
GABRB3 P28472 1/20 0.57
GABRA3 P34903 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALOX15 P16050 1/20 0.55
PKM P14618 1/20 0.55
CYTH2 Q99418 1/20 0.55
HSD17B2 P37059 2/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CCR9 P51686 1/20 0.52

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
SCHEMBL13852837 0.85 HSD17B2 (0.68) FFAR4KEAP1NFE2L2ALDH1A1GAA
SCHEMBL13852836 0.85 KEAP1 (0.64) FFAR4KEAP1NFE2L2MEN1KMT2A
SCHEMBL13615288 0.83 HSD17B2 (0.57) FFAR4HSD17B2CYP2C9
SCHEMBL13852833 0.83 HSD17B2 (0.63) FFAR4ALDH1A1HSD17B2CCR9
SCHEMBL13615284 0.83 ALDH1A1 (0.60) MEN1KMT2AALDH1A1GAAHSD17B10
SCHEMBL5955289 0.83 KEAP1 (0.53) FFAR4KEAP1NFE2L2SQSTM1KMT2A
SCHEMBL15248886 0.81 HSD17B2 (0.74) FFAR4MEN1KMT2AALDH1A1HSD17B2
SCHEMBL13629459 0.80 FFAR4 (0.71) FFAR4KEAP1NFE2L2SQSTM1GABRG2
SCHEMBL16187974 0.79 HSD17B2 (0.67) ALDH1A1GAACYTH2HSD17B2
SCHEMBL23555177 0.78 KEAP1 (1.00) FFAR4KEAP1NFE2L2SQSTM1GABRG2

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 3 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
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 529/4885NFE2L2 1106/4885
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK FFAR4 3913/4885KEAP1 682/4885NFE2L2 1321/4885

“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.