SCHEMBL1083508

SCHEMBL1083508

O=Cc1cc(S(=O)(=O)c2ccccc2)c(F)c2[nH]ncc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ FEN1 P39748 2/20 0.36
▸ METAP2 P50579 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MET P08581 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HTR2C P28335 1/20 0.33

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
SCHEMBL3974600 0.71 TSHR (0.50) HTR2AKCNH2TSHRHTTLMNA
SCHEMBL25470724 0.69 CCNE2 (0.41) CCNE2CCNE1CDK2FEN1METAP2
SCHEMBL16495124 0.67 HTR2A (0.49) HTR2AKCNH2TSHRHTTLMNA
SCHEMBL1014315 0.67 ERN1 (0.39) METAP2LMNANPSR1KDM4EMAPT
SCHEMBL709683 0.65 TSHR (0.62) TSHRHTTLMNANPSR1ALDH1A1
SCHEMBL25470723 0.65 ALDH1A1 (0.45) CCNE2CCNE1CDK2FEN1ALOX5AP
SCHEMBL1466296 0.64 TSHR (0.45) TSHRHTTMETLMNAALDH1A1
SCHEMBL30058247 0.64 HTR2A (0.47) FEN1HTR2AKCNH2ALOX5APLMNA
SCHEMBL28886354 0.64 HTR2A (0.47) FEN1HTR2AKCNH2ALOX5APLMNA
SCHEMBL7198016 0.62 TSHR (0.46) HTR2AKCNH2TSHRHTTALDH1A1

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
EP-2271649-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF Wyeth LLC (US) 2011-01-12 — — EP disclosed
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 — — US disclosed
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 — — WO 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-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof BRAF, RAF1, ARAF CCNE2 1387/4885CCNE1 374/4885CDK2 45/4885

“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.

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