SCHEMBL6318831

SCHEMBL6318831

CC(C)(C)OC(=O)NC(Cc1ccc(N/C(=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGB5 P18084 1/20 0.47
PPARG P37231 4/20 0.45
PPARA Q07869 4/20 0.45
ACE P12821 2/20 0.43
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
CCKAR P32238 1/20 0.40
CCKBR P32239 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
PPARD Q03181 2/20 0.39
PTPN1 P18031 3/20 0.39
APP P05067 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL6320491 0.94 ITGA4 (0.42) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL6328209 0.87 GSK3B (0.45)
SCHEMBL6320461 0.87 NAMPT (0.42)
SCHEMBL6317790 0.87 EGFR (0.40)
SCHEMBL6327630 0.87 EGFR (0.40)
SCHEMBL6320283 0.85 NAMPT (0.43)
SCHEMBL6328201 0.84 NAMPT (0.38)
SCHEMBL6319737 0.82 HDAC3 (0.40) ITGA4ITGB7
SCHEMBL6400167 0.82 EGFR (0.39)
SCHEMBL6319233 0.82 EGFR (0.39)

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-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 ITGB3 3764/4885ITGA2B 4218/4885ITGB1 2735/4885

“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.