SCHEMBL4074673

SCHEMBL4074673

O=S(=O)(Oc1ccc2ncc(Br)cc2c1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.37
F2 P00734 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
HSD11B1 P28845 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
HTR1A P08908 2/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
ALPL P05186 4/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
PPARG P37231 2/20 0.34

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
SCHEMBL28245204 0.89 CA1 (0.44) CA1CA2THRBHSD11B1DRD2
SCHEMBL20392608 0.84 CA1 (0.48) CA1CA2ALDH1A1F2GLA
SCHEMBL12101601 0.83 CA1 (0.47) CA1CA2ALDH1A1F2GLA
SCHEMBL28294470 0.81 PDGFRB (0.47) CA1CA2DRD2DRD3PDGFRB
SCHEMBL31456219 0.80 HSD11B1 (0.45) CA1CA2THRBALDH1A1HSD11B1
SCHEMBL1195896 0.80 HSD11B1 (0.45) CA1CA2THRBALDH1A1HSD11B1
SCHEMBL23247848 0.79 NPC1 (0.44) THRBALDH1A1F2GLAHPGD
SCHEMBL25222813 0.79 CA1 (0.46) CA1CA2ALDH1A1F2GLA
SCHEMBL28759605 0.78 EGFR (0.56) CA1CA2HSD11B1HTR1AHTR1D
SCHEMBL29723051 0.78 EGFR (0.56) CA1CA2HSD11B1HTR1AHTR1D

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
EP-2084162-B1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 US disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 US disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 US disclosed
EP-2084162-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-08-05 EP disclosed
WO-2008051808-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 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-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS MAP3K20, TTK, PRKACB CA1 4677/4885CA2 3518/4885THRB 1064/4885

“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.