SCHEMBL3029318

SCHEMBL3029318

COC(=O)c1[nH]c(C(=O)O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NGFR P08138 1/20 0.42
GRIN1 Q05586 2/20 0.41
DAO P14920 1/20 0.40
CYP1A2 P05177 2/20 0.40
EIF4A3 P38919 2/20 0.40
ALOX15 P16050 2/20 0.39
BLM P54132 2/20 0.39
NFKB1 P19838 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2A Q12879 1/20 0.38

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
SCHEMBL3035325 0.86 CYP1A2 (0.40) CYP1A2ALOX15HPGDKDM4ETSHR
SCHEMBL3031984 0.86 CYP1A2 (0.40) CYP1A2ALOX15HPGDKDM4ETSHR
SCHEMBL3017649 0.84 MAPK1 (0.39) CYP1A2ALOX15HPGDKDM4EMAPK14
SCHEMBL15100750 0.82 TSHR (0.49) CYP1A2ALOX15SMN1; SMN2HPGDKDM4E
SCHEMBL3339408 0.79 MAPK14 (0.40) CYP1A2ALOX15HPGDKDM4ETSHR
SCHEMBL20568972 0.78 GAA (0.45) CYP1A2ALOX15HPGDKDM4ETSHR
SCHEMBL3024598 0.77 SMYD3 (0.44) HPGDMAPK14
SCHEMBL3033205 0.77 HPGD (0.43) ALOX15HPGDKDM4EALDH1A1
SCHEMBL21060890 0.75 ALOX15 (0.44) ALOX15SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL21061011 0.75 ALOX15 (0.44) ALOX15SMN1; SMN2MEN1KMT2ATDP1

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 4 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-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP 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 NGFR 2602/4885GRIN1 2872/4885DAO 637/4885

“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.