SCHEMBL3025482

SCHEMBL3025482

CCCc1nc(Cl)c(C(=O)O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
POLB P06746 1/20 0.34
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
PIN1 Q13526 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PTPRB P23467 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
PDK2 Q15119 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL4769330 0.86 GLA (0.36) GLAPOLBPRKAG1PRKAA2PRKAA1
SCHEMBL3034374 0.85 GAA (0.37) ADORA3ADORA2AADORA1
SCHEMBL651 0.80 PIN1 (0.42) GLAHCAR2POLBPIN1KDM4C
SCHEMBL9283238 0.79 GABRP (0.38) GLAHCAR2POLBPIN1KDM4C
SCHEMBL27345625 0.77 GLA (0.35) GLAHCAR2POLBPIN1KDM4C
SCHEMBL27336187 0.77 PIN1 (0.38) GLAHCAR2POLBPIN1KDM4C
SCHEMBL27352613 0.76 GLA (0.34) GLAHCAR2POLBPIN1KDM4C
SCHEMBL3834785 0.76 CDK4 (0.36) GLAHCAR2POLBPIN1KDM4C
SCHEMBL27334880 0.75 ALDH1A1 (0.35) GLAHCAR2POLBPIN1KDM4C
SCHEMBL2626705 0.75 PIN1 (0.37) GLAHCAR2POLBPIN1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 GLA 1951/4885HCAR2 3217/4885POLB 23/4885

“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.