SCHEMBL13629410

SCHEMBL13629410

CCc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.61
NR3C1 P04150 1/20 0.56
PGR P06401 1/20 0.56
AR P10275 1/20 0.56
ESR2 Q92731 1/20 0.56
FFAR1 O14842 1/20 0.54
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
CDK7 P50613 1/20 0.54
CCNH P51946 1/20 0.54
CCNA1 P78396 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
TSHR P16473 1/20 0.54
GAA P10253 1/20 0.53
HIF1A Q16665 1/20 0.52
CA2 P00918 2/20 0.51
CA1 P00915 1/20 0.51
MMP1 P03956 1/20 0.51

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
SCHEMBL13629330 0.88 HSD17B2 (0.68) HSD17B2NR3C1PGRARESR2
SCHEMBL13629417 0.86 KMT2A (0.52) ARFFAR1CDK1CCNB1CCNA2
SCHEMBL13853000 0.83 KMT2A (0.55) PGRFFAR4GAAHIF1AKMT2A
SCHEMBL13615168 0.82 HSD17B2 (0.61) HSD17B2NR3C1PGRARESR2
SCHEMBL13629418 0.82 PKM (0.61) PGRHDAC1HDAC8LMNAMAPT
SCHEMBL13629409 0.80 PGR (0.60) PGRFFAR4GAAHDAC1HDAC8
SCHEMBL7572806 0.80 NR3C1 (0.69) HSD17B2NR3C1PGRARESR2
SCHEMBL7573925 0.79 HSD17B2 (0.79) HSD17B2NR3C1PGRARESR2
SCHEMBL13629408 0.78 CDK1 (0.51) CDK1CCNB1CCNA2CDK2CDK7
SCHEMBL14977421 0.77 HSD17B2 (0.52) HSD17B2NR3C1PGRARESR2

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 4198/4885NR3C1 2664/4885PGR 1506/4885
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK HSD17B2 4325/4885NR3C1 2902/4885PGR 1648/4885

“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.