SCHEMBL7045323

SCHEMBL7045323

CC(CCNC(=O)OCc1ccccc1)CC(=O)NCC(O)(CCc1ccccc1)c1nc(C(=O)N2CCC(Cc3ccccc3)CC2)co1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.36
ADAM17 P78536 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC4 P56524 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MAPK14 Q16539 2/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL7046404 0.82 MAPT (0.35)
SCHEMBL7183275 0.81 MEN1 (0.38) MGLLMEN1KMT2APOLBSMN1; SMN2
SCHEMBL7042863 0.81 KCNA5 (0.37) SMN1; SMN2
SCHEMBL7046903 0.80 TBXA2R (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL7044814 0.80 SGMS2 (0.37) MEN1KMT2APOLBSMN1; SMN2CYP2C9
SCHEMBL7045973 0.80 PSMB5 (0.40) SMN1; SMN2
SCHEMBL7042125 0.80 L3MBTL1 (0.39) KMT2APOLBSMN1; SMN2CYP2C9CYP2C19
SCHEMBL7049145 0.80 KCNA5 (0.38) KMT2ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL7185049 0.79 MEN1 (0.35) MEN1KMT2A
SCHEMBL7049043 0.76 MAPT (0.38) SMN1; SMN2

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ MGLL 1027/4885ADAM17 10/4885MEN1 4023/4885

“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.