SCHEMBL1497381

SCHEMBL1497381

C=CC(=O)Nc1ccc(C(=O)O)cc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.46
ITK Q08881 4/20 0.46
MAPK3 P27361 3/20 0.42
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
KDR P35968 5/20 0.41
BRD4 O60885 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
SCHEMBL12265220 0.91 EGFR (0.45) EGFRITKMAPK3CA12CA1
SCHEMBL17371332 0.80 EGFR (0.46) EGFRITKMAPK3CA12CA1
SCHEMBL16123201 0.80 EGFR (0.49) EGFRITKKDR
SCHEMBL8457415 0.79 TSHR (0.54) CA12CA1CA2CA9
SCHEMBL7345964 0.78 LMNA (0.49)
SCHEMBL7778277 0.78 BRD4 (0.52) BRD4
SCHEMBL17958060 0.77 CA12 (0.50) CA12CA1CA2CA9BRD4
SCHEMBL1236314 0.77 CA12 (0.48) CA12CA1CA2CA9BRD4
SCHEMBL15573936 0.76 TSHR (0.56) CA12CA1CA2CA9
SCHEMBL18165160 0.74 CA12 (0.47) CA12CA1CA2CA9BRD4

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-2475375-A2 PI3 KINASE INHIBITORS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-07-18 EP disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 WO disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B EGFR 580/4885ITK 557/4885MAPK3 116/4885

“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.