SCHEMBL6267733

SCHEMBL6267733

CCOC(=O)C(C#N)CCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCCO2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
MMP13 P45452 1/20 0.32
CASP7 P55210 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 3/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 1/20 0.31
CTSK P43235 1/20 0.30
EED O75530 1/20 0.30
RBBP4 Q09028 1/20 0.30
SUZ12 Q15022 1/20 0.30
EZH2 Q15910 1/20 0.30
AEBP2 Q6ZN18 1/20 0.30
MEN1 O00255 2/20 0.30

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
SCHEMBL8334947 0.82 ALDH1A1 (0.32) KDM4EMAPTTSHRCASP1MMP13
SCHEMBL6265826 0.82 L3MBTL1 (0.40) KDM4EMAPTALDH1A1GLAHPGD
SCHEMBL6266493 0.82 CSNK2A1 (0.35) MEN1KMT2AKEAP1NFE2L2
SCHEMBL6265815 0.81 KEAP1 (0.34) KEAP1NFE2L2
SCHEMBL5847975 0.81 GPR119 (0.32) KDM4EMAPTTSHRCASP1MMP13
SCHEMBL6260989 0.77 CSNK2A1 (0.36) KDM4EMAPTKEAP1NFE2L2
SCHEMBL8326067 0.77 MAPT (0.42) KDM4EMAPTALDH1A1GLAHTT
SCHEMBL4207156 0.76 CSNK2A1 (0.38) MAPTALDH1A1HTTKEAP1NFE2L2
SCHEMBL8325968 0.75 CSNK2A1 (0.36) MAPTALDH1A1HTTKEAP1NFE2L2
SCHEMBL853328 0.74 CSNK2A1 (0.36) MAPTALDH1A1HTTKEAP1NFE2L2

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
EP-1592421-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2005-11-09 EP disclosed
US-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-02-24 US disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 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-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGAV, ITGA6 KDM4E 3438/4885MAPT 4206/4885TSHR 614/4885

“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.