SCHEMBL13615288

SCHEMBL13615288

Cc1cc(C(C)(C)C)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 7/20 0.57
PTGES2 Q9H7Z7 1/20 0.55
KIF11 P52732 1/20 0.55
KDM1A O60341 2/20 0.53
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
FFAR4 Q5NUL3 2/20 0.50
BRD4 O60885 1/20 0.50
HSD11B1 P28845 1/20 0.50
FFAR1 O14842 1/20 0.50
UQCRB P14927 1/20 0.50
PSD A5PKW4 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL16325550 0.88 FFAR4 (0.63) HSD17B2KIF11KDM1AFFAR4FFAR1
SCHEMBL13852837 0.88 HSD17B2 (0.68) HSD17B2CYP2C9FFAR4UQCRBCA1
SCHEMBL13852835 0.86 HSD17B2 (0.57) HSD17B2PTGES2FFAR4FFAR1CA1
SCHEMBL13852833 0.85 HSD17B2 (0.63) HSD17B2FFAR4
SCHEMBL7589492 0.84 PTGES2 (0.56) HSD17B2PTGES2KDM1ACYP2D6CYP2C9
SCHEMBL15248886 0.84 HSD17B2 (0.74) HSD17B2FFAR4UQCRBPSDCA1
SCHEMBL13629343 0.83 NPC1 (0.52) PTGES2KIF11KDM1ACYP2D6CYP2C9
SCHEMBL13615106 0.83 FFAR4 (0.72) HSD17B2CYP2C9FFAR4
SCHEMBL14403258 0.82 PTGES2 (0.65) HSD17B2PTGES2CYP2C9HSD11B1UQCRB
SCHEMBL16187974 0.81 HSD17B2 (0.67) HSD17B2UQCRBPSDCA1CA2

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 HSD17B2 4198/4885PTGES2 547/4885KIF11 1465/4885
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK HSD17B2 4325/4885PTGES2 841/4885KIF11 1244/4885

“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.