SCHEMBL956347

SCHEMBL956347

CCOC(=O)CC(=O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MAPK1 P28482 2/20 0.42
▸ GAA P10253 2/20 0.41
▸ MGAM O43451 1/20 0.41
▸ SI P14410 1/20 0.41
▸ MGAM2 Q2M2H8 1/20 0.41
▸ NLRP3 Q96P20 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CASP8 Q14790 1/20 0.37
▸ CTSV O60911 1/20 0.36
▸ CTSL P07711 1/20 0.36

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
SCHEMBL22308325 0.80 MAPT (0.49) KDM4EALDH1A1HTTMAPTMAPK1
SCHEMBL3216951 0.80 MAPT (0.50) KDM4EALDH1A1HTTMAPTMAPK1
SCHEMBL3410954 0.79 MAPT (0.48) KDM4EALDH1A1HTTMAPTMAPK1
SCHEMBL26773189 0.78 KDM4E (0.43) KDM4EALDH1A1HTTMAPTMAPK1
SCHEMBL27673325 0.77 GAA (0.42) KDM4EALDH1A1HTTMAPTMAPK1
SCHEMBL22753433 0.77 KDM4E (0.47) KDM4EALDH1A1HTTMAPTMAPK1
SCHEMBL18215408 0.76 KDM4E (0.49) KDM4EALDH1A1HTTMAPTMAPK1
SCHEMBL12745899 0.75 KDM4E (0.48) KDM4EALDH1A1HTTMAPTMAPK1
SCHEMBL1349347 0.74 MGAM (0.47) KDM4EALDH1A1HTTMAPTGAA
SCHEMBL4419517 0.74 MAPT (0.53) KDM4EALDH1A1HTTMAPTGAA

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 KDM4E 2176/4885ALDH1A1 1082/4885HTT 4302/4885

“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.

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