SCHEMBL21791604

SCHEMBL21791604

CC(C)c1n[nH]c(C(C)C)c1C/C(F)=C/CNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GFER P55789 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL21773554 0.84 P2RX7 (0.47) P2RX7
SCHEMBL21773553 0.84 P2RX7 (0.47) P2RX7
SCHEMBL20489256 0.75 KDM4E (0.35) P2RX7KDM4ELMNANPSR1GFER
SCHEMBL20489255 0.75 KDM4E (0.35) P2RX7KDM4ELMNANPSR1GFER
SCHEMBL21791600 0.72 PDE4D (0.35) P2RX7KDM4ELMNANPSR1GFER
SCHEMBL28347572 0.72 PDE4D (0.35) P2RX7KDM4ELMNANPSR1GFER
SCHEMBL6559444 0.69 KDM4E (0.48) P2RX7KDM4ELMNANPSR1GFER
SCHEMBL2918000 0.68 TDP1 (0.45) CA1CA2CA7CTSS
SCHEMBL2919446 0.68 TDP1 (0.45) CA1CA2CA7CTSS
SCHEMBL2919444 0.68 TDP1 (0.45) CA1CA2CA7CTSS

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-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-03-05 — — 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-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF LOX, DAO, AADAC P2RX7 1145/4885KDM4E 647/4885LMNA 1069/4885

“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.

Send feedback