SCHEMBL6753489

SCHEMBL6753489

CN(C(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccc(OC(F)F)cc1)C1(C)COCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
ERAP2 Q6P179 2/20 0.36
CTSL P07711 1/20 0.36
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 2/20 0.35
IDO1 P14902 1/20 0.35
ALOX15 P16050 1/20 0.35
GFER P55789 1/20 0.35
ADAM17 P78536 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
ATM Q13315 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
SCHEMBL6752292 0.90 HPGDS (0.37) LMNAPOLBCTSLHTTIDO1
SCHEMBL6749601 0.89 TRPV1 (0.41) LNPEPITGB1ITGA4CA1CA2
SCHEMBL6752335 0.87 BCL2A1 (0.39) LNPEPITGB1ITGA4CA1CA2
SCHEMBL6751314 0.87 CTSB (0.43) LNPEPPOLBITGB1ITGA4CA1
SCHEMBL6751811 0.87 CTSL (0.48) ITGB1ITGA4CA1CA2CA12
SCHEMBL6751644 0.86 ESRRG (0.40) LNPEPITGB1ITGA4CA1CA2
SCHEMBL6984404 0.80 ITGB1 (0.40) LNPEPITGB1ITGA4ERAP2CTSL
SCHEMBL6749652 0.80 TRPV1 (0.44) LMNACTSL
SCHEMBL6753780 0.80 LNPEP (0.35) LNPEPITGB1ITGA4CA1CA2
SCHEMBL6753778 0.80 KDM1A (0.38) LNPEPITGB1ITGA4CA1CA2

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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-07-01 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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 LNPEP 154/4885LMNA 2064/4885POLB 2438/4885

“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.