SCHEMBL3033052

SCHEMBL3033052

NCc1ccc(Cl)c(Oc2ccccc2)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.49
RHEB Q15382 4/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
PNMT P11086 2/20 0.40
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
HRH1 P35367 1/20 0.37
HSP90AA1 P07900 1/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
LTA4H P09960 2/20 0.35
PLA2G2A P14555 1/20 0.35
MAOB P27338 1/20 0.35
AOC3 Q16853 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3034980 0.84 RHEB (0.42) DPP4RHEBCA12CA1CA2
Hydrochloric Acid SCHEMBL14920986 0.82 CA12 (0.41) DPP4CA12CA1CA2CA7
SCHEMBL3635518 0.81 CYP3A4 (0.45) POLBMAPTHRH1HSP90AA1
SCHEMBL16117312 0.80 RHEB (0.39) DPP4RHEBCA12CA1CA2
SCHEMBL2337143 0.80 CAMK2A (0.48) RHEB
SCHEMBL16117317 0.79 RHEB (0.41) DPP4RHEBCA12CA1CA2
SCHEMBL3029326 0.78 HTR1B (0.42) DPP4PNMTMAPTTDP1
SCHEMBL13982065 0.78 POLB (0.39) PNMTPOLBMAPTHSP90AA1MAOB
SCHEMBL3033047 0.77 CYP3A4 (0.38) PNMTMAOBAOC3
SCHEMBL3033216 0.77 CYP3A4 (0.51)

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 DPP4 652/4885RHEB 1258/4885CA12 3249/4885

“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.