SCHEMBL5183259

SCHEMBL5183259

CCOC(=O)CNC(=O)NCc1cccc(I)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 5/20 0.71
PPIB P23284 1/20 0.60
PPIA P62937 1/20 0.60
PPIG Q13427 1/20 0.60
HTT P42858 1/20 0.47
POLB P06746 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FOLH1 Q04609 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NLRP3 Q96P20 1/20 0.41
MAPT P10636 1/20 0.41
NAMPT P43490 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL15832144 0.86 PPID (0.74) PPIDPPIBPPIAPPIGHTT
SCHEMBL5182549 0.85 PPID (0.49) PPIDPPIBPPIAPPIGALDH1A1
SCHEMBL2038799 0.84 PPID (0.71) PPIDPPIBPPIAPPIGHTT
SCHEMBL2036271 0.84 PPID (0.71) PPIDPPIBPPIAPPIGHTT
SCHEMBL2039730 0.84 PPID (0.71) PPIDPPIBPPIAPPIGHTT
SCHEMBL12643825 0.83 PPID (1.00) PPIDPPIBPPIAPPIGHTT
SCHEMBL2037882 0.83 PPID (0.69) PPIDPPIBPPIAPPIGHTT
SCHEMBL2041325 0.83 PPID (0.69) PPIDPPIBPPIAPPIGPOLB
SCHEMBL15832141 0.83 PPID (0.69) PPIDPPIBPPIAPPIGHTT
SCHEMBL2044885 0.82 PPID (0.67) PPIDPPIBPPIAPPIGKDM4E

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
EP-1366025-B1 AGONISTS OF BETA-ADRENORECEPTORS GLAXO GROUP LTD (GB) 2007-06-27 EP disclosed
US-7144908-B2 Agonists of beta-adrenoceptors GLAXO GROUP LIMITED (GB) 2006-12-05 US disclosed
US-20040242890-A1 Agonists of beta-adrenoceptors GLAXO GROUP LIMITED (GB) 2004-12-02 US 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-20040242890-A1 Agonists of beta-adrenoceptors ADRB1, ADRB2, ADRA1A PPID 3411/4885PPIB 2525/4885PPIA 3194/4885

“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.