SCHEMBL2004651

SCHEMBL2004651

CC(C(=O)O)n1ccc2cc(OCCCNc3nc(Cl)ncc3F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.47
ITGAV P06756 6/20 0.47
ITGB5 P18084 1/20 0.41
MCL1 Q07820 5/20 0.39
PPARG P37231 2/20 0.37
BRD4 O60885 5/20 0.36
BCL2 P10415 3/20 0.36
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2000733 0.92 ITGB3 (0.42) ITGB3ITGAVITGB5MCL1BRD4
SCHEMBL12568717 0.87 ITGB3 (0.45) ITGB3ITGAVITGB5PPARGBRD4
SCHEMBL12568713 0.85 ITGB3 (0.46) ITGB3ITGAVITGB5PPARGBRD4
SCHEMBL12568719 0.84 ITGB3 (0.43) ITGB3ITGAVITGB5PPARGBRD4
SCHEMBL4234775 0.84 PPARG (0.55) ITGB3ITGAVITGB5MCL1PPARG
SCHEMBL1999062 0.83 PPARD (0.40) ITGB3ITGAVMCL1PPARGBCL2
SCHEMBL12568445 0.82 ITGB3 (0.45) ITGB3ITGAVITGB5MCL1PPARG
SCHEMBL12568444 0.77 PPARD (0.37) ITGB3ITGAVMCL1PPARGBCL2
SCHEMBL2000563 0.75 ITGB3 (0.44) ITGB3ITGAVITGB5MCL1PPARG
SCHEMBL2000849 0.72 PPARA (0.42) ITGB3ITGAVMCL1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT ITGB3 4684/4885ITGAV 4461/4885ITGB5 4190/4885

“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.