SCHEMBL959924

SCHEMBL959924

Oc1cc(COc2cccc3c2OCO3)nc2cc(-c3ccco3)nn12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 9/20 0.35
ABCG2 Q9UNQ0 3/20 0.35
MET P08581 2/20 0.35
FUBP1 Q96AE4 1/20 0.35
FYN P06241 2/20 0.34
ADORA2A P29274 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL956154 0.81 FFAR1 (0.40) ABCB1ABCG2METFUBP1FYN
SCHEMBL955471 0.81 DPP4 (0.38) ABCB1ABCG2METFUBP1FYN
SCHEMBL959357 0.81 DPP4 (0.41) ABCB1ABCG2METFUBP1ADORA2A
SCHEMBL956506 0.78 ABCB1 (0.44) ABCB1ABCG2METFUBP1ADORA2A
SCHEMBL956593 0.78 DPP4 (0.41) ABCB1ABCG2METFUBP1FYN
SCHEMBL956372 0.78 FUBP1 (0.39) ABCB1ABCG2METFUBP1FYN
SCHEMBL954712 0.77 POLB (0.43) ABCB1ABCG2METFUBP1ADORA2A
SCHEMBL957323 0.75 FFAR1 (0.39) ABCB1ABCG2METFUBP1FYN
SCHEMBL956808 0.74 DPP4 (0.42) ABCB1ABCG2METFUBP1FYN
SCHEMBL959394 0.73 ABCB1 (0.44) ABCB1ABCG2METFUBP1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2011-01-13 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-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR3 ABCB1 649/4885ABCG2 304/4885MET 1035/4885

“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.