SCHEMBL4881735

SCHEMBL4881735

COC(=O)c1cccc2nc(CNC(=O)OCc3ccccc3)n(C)c12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
TNKS O95271 2/20 0.44
TNKS2 Q9H2K2 2/20 0.44
KCNA5 P22460 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL4881757 0.84 STING1 (0.44) CYP3A4MAPTTSHRTNKSTNKS2
SCHEMBL29784473 0.80 MAPT (0.42) CYP3A4MAPTTSHRTNKSTNKS2
SCHEMBL29784444 0.78 MAPT (0.41) CYP3A4MAPTTSHRTNKSTNKS2
SCHEMBL27185875 0.77 TNKS (0.48) CYP3A4MAPTTNKSTNKS2KCNA5
SCHEMBL7422026 0.76 NPC1 (0.44) CYP3A4MAPTTSHRKCNA5KDM4E
SCHEMBL4887206 0.75 BACE1 (0.51) MAPT
SCHEMBL2381850 0.74 KCNA5 (0.53) MAPTKCNA5KDM4EALDH1A1GAA
SCHEMBL4887144 0.72 RIPK1 (0.47) CYP3A4MAPTTNKSTNKS2KCNA5
SCHEMBL19743927 0.71 ACSS2 (0.55) CYP3A4MAPTTSHRKDM4E
SCHEMBL29784468 0.71 TNKS (0.43) CYP3A4MAPTTNKSTNKS2KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
EP-1789045-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-30 EP disclosed
WO-2006023400-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-02 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-20080045537-A1 Chemical Compounds CCR5, CXCR4, CXCR3 CYP3A4 3349/4885MAPT 3251/4885TSHR 3293/4885

“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.