SCHEMBL5406639

SCHEMBL5406639

CC(C)(C)OC(=O)NCCNC(=O)CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.44
NPY5R Q15761 4/20 0.43
ATM Q13315 1/20 0.43
FPR2 P25090 1/20 0.43
MAPK1 P28482 1/20 0.43
TACR2 P21452 4/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL5406645 1.00 LTA4H (0.44) LTA4HNPY5RATMFPR2MAPK1
SCHEMBL5411945 0.91 ROCK2 (0.48) LTA4HATMFPR2HDAC8
SCHEMBL5411954 0.91 ROCK2 (0.48) LTA4HATMFPR2HDAC8
SCHEMBL5414349 0.91 ROCK2 (0.48) LTA4HATMFPR2HDAC8
SCHEMBL5414417 0.87 ROCK2 (0.46) ATMFPR2
SCHEMBL5414408 0.87 ROCK2 (0.46) ATMFPR2
SCHEMBL8296808 0.85 LTA4H (0.59) LTA4HNPY5RFPR2MAPK1TACR2
SCHEMBL5403766 0.81 FPR2 (0.46) NPY5RFPR2MAPK1TACR2CYP2C9
SCHEMBL5403771 0.81 FPR2 (0.46) NPY5RFPR2MAPK1TACR2CYP2C9
SCHEMBL5403755 0.81 FPR2 (0.46) NPY5RFPR2MAPK1TACR2CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 LTA4H 2015/4885NPY5R 2160/4885ATM 2145/4885

“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.