SCHEMBL957323

SCHEMBL957323

Oc1cc(COc2c(F)cc(F)cc2F)nc2cc(-c3ccco3)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
FUBP1 Q96AE4 1/20 0.38
ABCB1 P08183 3/20 0.37
MET P08581 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 2/20 0.36
PTGS1 P23219 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DPP4 P27487 1/20 0.35
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
FYN P06241 1/20 0.35

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
SCHEMBL956372 0.93 FUBP1 (0.39) FUBP1ABCB1METABCG2ALDH1A1
SCHEMBL956593 0.84 DPP4 (0.41) FUBP1ABCB1METABCG2ALDH1A1
SCHEMBL956154 0.84 FFAR1 (0.40) FFAR1FUBP1ABCB1METABCG2
SCHEMBL956506 0.83 ABCB1 (0.44) FUBP1ABCB1METABCG2ALDH1A1
SCHEMBL957284 0.82 DPP4 (0.41) FUBP1ABCB1METABCG2LMNA
SCHEMBL956808 0.81 DPP4 (0.42) FUBP1ABCB1METABCG2LMNA
SCHEMBL959357 0.80 DPP4 (0.41) FFAR1FUBP1ABCB1METABCG2
SCHEMBL955471 0.78 DPP4 (0.38) FUBP1ABCB1METABCG2ALDH1A1
SCHEMBL959394 0.78 ABCB1 (0.44) FUBP1ABCB1METABCG2ALDH1A1
SCHEMBL954898 0.76 CXCR2 (0.49) FUBP1ABCB1METABCG2ALDH1A1

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-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2011-01-13 US disclosed
EP-2257552-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 Novartis AG (CH) 2010-12-08 EP disclosed
WO-2009106539-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2009-09-03 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-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR3 FFAR1 731/4885FUBP1 2541/4885ABCB1 649/4885

“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.