SCHEMBL6358935

SCHEMBL6358935

N=C(N)NCCCCC(=O)NCC(=O)NC(Cc1cccnc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.49
MAPT P10636 1/20 0.46
PTAFR P25105 2/20 0.46
CYP3A4 P08684 2/20 0.45
EPHX2 P34913 3/20 0.43
GPR132 Q9UNW8 4/20 0.41
CMKLR2 P46091 1/20 0.41
CMKLR1 Q99788 1/20 0.41
FAAH O00519 1/20 0.41
FES P07332 1/20 0.41
RET P07949 1/20 0.41
MARK3 P27448 1/20 0.41
TYK2 P29597 1/20 0.41
FLT4 P35916 1/20 0.41
SYK P43405 1/20 0.41
CLK2 P49760 1/20 0.41
CLK4 Q9HAZ1 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
SCHEMBL8408666 0.86 ITGB3 (0.47) FOLH1MAPTEPHX2
SCHEMBL6358943 0.85 FOLH1 (0.48) FOLH1MAPTPTAFRCYP3A4EPHX2
SCHEMBL6954777 0.84 FOLH1 (0.47) FOLH1MAPTPTAFRCYP3A4EPHX2
SCHEMBL29538593 0.80 GPR132 (0.50) FOLH1CYP3A4GPR132CMKLR2CMKLR1
SCHEMBL4924076 0.78 ITGB3 (0.56) PTAFR
SCHEMBL243189 0.78 PTAFR (0.41) MAPTPTAFRCYP3A4EPHX2
SCHEMBL6946884 0.78 ITGB3 (0.55) MAPTCYP3A4
SCHEMBL8410736 0.77 MAPT (0.43) FOLH1MAPTPTAFRCYP3A4FAAH
SCHEMBL12205313 0.76 MME (0.51)
SCHEMBL3300590 0.75 NPY4R (0.57) EPHX2

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-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-02-24 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-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGAV, ITGA6 FOLH1 2015/4885MAPT 4206/4885PTAFR 72/4885

“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.