SCHEMBL4400850

SCHEMBL4400850

O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCC(=O)Nc1ccc(CCC(=O)N2CCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ALDH1A1 P00352 3/20 0.40
USP2 O75604 1/20 0.40
OPRK1 P41145 2/20 0.37
CNR2 P34972 1/20 0.37
EPHX2 P34913 1/20 0.37
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NAAA Q02083 1/20 0.36

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
SCHEMBL4401002 0.88 OPRK1 (0.46) POLBCA12CA1CA2CA4
SCHEMBL4400652 0.88 OPRK1 (0.46) POLBCA12CA1CA2CA4
SCHEMBL18643385 0.86 CA12 (0.39) POLBCA12CA1CA2CA4
SCHEMBL9920123 0.84 CA12 (0.43) POLBGAACA12CA1CA2
SCHEMBL13643870 0.84 CA12 (0.43) POLBGAACA12CA1CA2
SCHEMBL15075517 0.80 CA12 (0.49) POLBCA12CA1CA2CA4
SCHEMBL13643868 0.78 CA12 (0.40) POLBGAACA12CA1CA2
SCHEMBL20262016 0.78 MGLL (0.40) POLBHPGDALOX15CA12CA1
SCHEMBL13644656 0.78 POLB (0.47) POLBHPGDGAACA12CA1
SCHEMBL4397929 0.77 POLB (0.40) POLBGAAALDH1A1OPRK1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722622-B2 FGF21 conjugates and anti-diabetic uses thereof COVX TECHNOLOGIES IRELAND, LIMITED (IE) 2014-05-13 US disclosed
US-20120282279-A1 Anti-Diabetic Compounds COVX TECHNOLOGIES IRELAND LIMITED (IE) 2012-11-08 US disclosed
WO-2012059873-A2 ANTI-DIABETIC COMPOUNDS COVX TECHNOLOGIES IRELAND, LTD. (IE) 2012-05-10 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-20120282279-A1 Anti-Diabetic Compounds GLP1R, FGF2, FGFR1 POLB 4521/4885HPGD 2008/4885GAA 498/4885

“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.