SCHEMBL2647795

SCHEMBL2647795

COC(=O)C(O)CNC(=O)c1ccc(C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.39
MLYCD O95822 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP24A1 Q07973 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 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
SCHEMBL2647793 1.00 ALDH1A1 (0.54) ALDH1A1ADRB2ADRB1ADRB3EPHX2
SCHEMBL2647552 0.83 EPHX2 (0.48) ALDH1A1ADRB2ADRB1ADRB3EPHX2
SCHEMBL2647548 0.83 EPHX2 (0.48) ALDH1A1ADRB2ADRB1ADRB3EPHX2
SCHEMBL4785358 0.82 ALDH1A1 (0.57) ALDH1A1ADRB2ADRB1ADRB3EPHX2
SCHEMBL15943133 0.81 ALDH1A1 (0.53) ALDH1A1TAS1R3TAS1R1HPGDNPSR1
SCHEMBL15943146 0.81 ALDH1A1 (0.53) ALDH1A1TAS1R3TAS1R1HPGDNPSR1
SCHEMBL1663138 0.77 ALDH1A1 (0.49) ALDH1A1ADRB2ADRB1ADRB3EPHX2
SCHEMBL14596376 0.77 EPHX2 (0.51) ALDH1A1ADRB2ADRB1ADRB3EPHX2
SCHEMBL2280467 0.75 HPGD (0.62) ALDH1A1EPHX2NR1H4HPGDPOLB
SCHEMBL2281194 0.75 EPHX2 (0.56) ALDH1A1EPHX2NR1H4GAAPOLB

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
EP-1463715-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-10-06 EP disclosed
US-6762318-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIZED SECONDARY AMIDES; ORAL ADMINISTRATION NOVO NORDISK A/S (DK) 2004-07-13 US disclosed
US-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents PFIZER INC 2003-12-25 US disclosed
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 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-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents GPR119, GLP1R, GIPR ALDH1A1 3917/4885ADRB2 169/4885ADRB1 105/4885

“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.