SCHEMBL959542

SCHEMBL959542

CCOC(=O)c1cc2nc(CCc3cccc(F)c3F)cc(O)n2n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.52
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.37
HSD17B10 Q99714 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
THRB P10828 1/20 0.36
JMJD6 Q6NYC1 1/20 0.36
CSNK1D P48730 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
SCHEMBL957633 0.86 CXCR2 (0.52) CXCR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL956581 0.82 CXCR2 (0.57) CXCR2KDM4EALDH1A1POLBTP53
SCHEMBL956726 0.78 CXCR2 (0.53) CXCR2
SCHEMBL959381 0.78 CXCR2 (0.51) CXCR2ADORA3
SCHEMBL956304 0.78 CXCR2 (0.72) CXCR2
SCHEMBL958516 0.78 CXCR2 (0.54) CXCR2ALDH1A1ADORA3
SCHEMBL954899 0.77 CXCR2 (0.54) CXCR2
SCHEMBL956259 0.77 CXCR2 (0.44) CXCR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2439145 0.76 KDM4E (0.49) KDM4EALDH1A1HPGDPOLBCYP1A2
SCHEMBL955463 0.75 CXCR2 (0.42) CXCR2KDM4EALDH1A1HPGDPOLB

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 CXCR2 1/4885KDM4E 2176/4885ALDH1A1 1082/4885

“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.