SCHEMBL4076690

SCHEMBL4076690

CCOC(=O)C(C)(C)n1cc(I)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
CYP3A4 P08684 2/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
PPARA Q07869 1/20 0.35
PDE4A P27815 1/20 0.33
CYP2C19 P33261 1/20 0.33
PIN1 Q13526 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP8 P22894 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 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
SCHEMBL22531722 0.89 CYP4F2 (0.36) CYP4F2CYP4A11CYP3A4ABCB11CYP1A2
SCHEMBL16985332 0.84 CYP4F2 (0.45) CYP4F2CYP4A11FGFR3KDRCYP3A4
SCHEMBL20899277 0.82 HCRTR1 (0.37) CYP2C19CNR2
SCHEMBL13412138 0.81 CYP4F2 (0.43) CYP4F2CYP4A11FGFR3KDRCYP3A4
SCHEMBL29427420 0.81 ABCB11 (0.44) CYP4F2CYP4A11FGFR3KDRCYP3A4
SCHEMBL16423620 0.81 CYP4F2 (0.43) CYP4F2CYP4A11FGFR3KDRCYP3A4
SCHEMBL14149259 0.81 CYP4F2 (0.43) CYP4F2CYP4A11FGFR3KDRCYP3A4
SCHEMBL24627322 0.79 CYP4F2 (0.41) CYP4F2CYP4A11FGFR3KDRCYP3A4
SCHEMBL25380972 0.77 FGFR3 (0.47) CYP4F2CYP4A11FGFR3KDRCYP3A4
SCHEMBL15895031 0.77 MAPT (0.42) CYP4F2CYP4A11CYP3A4CYP1A2CYP2C19

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 10 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
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
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
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 CYP4F2 2890/4885CYP4A11 2231/4885FGFR3 2666/4885

“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.