SCHEMBL3022892

SCHEMBL3022892

O=C(NCCO)c1cc(Cl)c(C(=O)O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
ALPL P05186 7/20 0.45
ALPG P10696 1/20 0.45
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
ALOX15 P16050 2/20 0.39

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
SCHEMBL3033205 0.84 HPGD (0.43) POLBHPGDHTTALPLALPG
SCHEMBL3023120 0.75 SMYD3 (0.47) HPGD
SCHEMBL3016672 0.71 MAP2K1 (0.42) POLBALDH1A1ALOX15DAOGRIN1
SCHEMBL3022139 0.71 TTR (0.38) HPGDALOX15DAOGRIN1
SCHEMBL3429329 0.70 DAO (0.54) CA1CA2ALOX15DAO
SCHEMBL14060463 0.69 HPGD (0.63) POLBHPGDHTTALPLALPG
SCHEMBL3024041 0.68 RHEB (0.38)
SCHEMBL3038036 0.68 TSHR (0.45) HPGDHTTKDM4EALDH1A1MAPT
SCHEMBL10999421 0.67 HTT (0.47) POLBHPGDHTTALPLALPG
SCHEMBL11002898 0.67 HPGD (0.47) POLBHPGDHTTALPLALPG

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 POLB 23/4885HPGD 824/4885HTT 947/4885

“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.