SCHEMBL956957

SCHEMBL956957

CCOC(=O)CC(=O)CCc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 6/20 0.47
TAAR1 Q96RJ0 3/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
NLRP3 Q96P20 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.41

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
SCHEMBL956388 0.89 CYP4F2 (0.48) CYP4F2CYP4A11KMT2AALDH1A1TAAR1
SCHEMBL1151562 0.88 CYP4F2 (0.69) CYP4F2CYP4A11KMT2AALDH1A1TAAR1
SCHEMBL12602245 0.85 CYP4F2 (0.56) CYP4F2CYP4A11KMT2AALDH1A1GAA
SCHEMBL15334186 0.85 L3MBTL1 (0.52) CYP4F2CYP4A11KMT2AALDH1A1TAAR1
SCHEMBL956095 0.82 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1TAAR1LMNA
SCHEMBL957050 0.82 CYP4F2 (0.54) CYP4F2CYP4A11KMT2AALDH1A1TAAR1
SCHEMBL1511092 0.82 CYP4F2 (0.64) CYP4F2CYP4A11KMT2AALDH1A1TAAR1
SCHEMBL28873178 0.81 CYP4F2 (0.52) CYP4F2CYP4A11KMT2AALDH1A1MEN1
SCHEMBL7331602 0.79 TAAR1 (0.56) KMT2AALDH1A1TAAR1MEN1
SCHEMBL717900 0.78 TDP1 (0.56) CYP4F2CYP4A11ALDH1A1L3MBTL1MAPT

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
CN-101959889-A Heterocyclic compounds as inhibitors of CXCR2 NOVARTIS AG 2011-01-26 CN disclosed
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 CYP4F2 1678/4885CYP4A11 1251/4885KMT2A 2456/4885

“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.