SCHEMBL21844018

SCHEMBL21844018

CN[C@@H](C(=O)NCC(C)(C)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.34
PIK3CD O00329 1/20 0.33
CNR1 P21554 6/20 0.33
CNR2 P34972 6/20 0.33
TRPA1 O75762 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
MMP1 P03956 7/20 0.31
MMP3 P08254 6/20 0.31
MMP9 P14780 6/20 0.31
MMP2 P08253 6/20 0.31
MMP8 P22894 4/20 0.31
MMP13 P45452 3/20 0.31
MMP7 P09237 2/20 0.30
MMP14 P50281 2/20 0.30
ADAM17 P78536 2/20 0.30
MMP20 O60882 1/20 0.30
ADAMTS4 O75173 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
SCHEMBL21916705 0.81 FPR2 (0.33) FPR2PIK3CDCNR1CNR2TRPA1
SCHEMBL21844027 0.81 FPR2 (0.35) FPR2PIK3CDCNR1CNR2TRPA1
SCHEMBL24946124 0.81 FPR2 (0.35) FPR2PIK3CDCNR1CNR2TRPA1
SCHEMBL24946125 0.78 FPR2 (0.34) FPR2PIK3CDPPARGPPARDPPARA
SCHEMBL12733459 0.76 KDM4C (0.40) MMP1MMP3MMP9MMP2MMP7
SCHEMBL10311712 0.74 PIK3CD (0.42) FPR2PIK3CDCNR1CNR2TRPA1
SCHEMBL4126714 0.73 DPP4 (0.43) FPR2PIK3CDCNR1CNR2TRPA1
SCHEMBL4126708 0.73 FPR2 (0.35) FPR2PIK3CDCNR1CNR2TRPA1
SCHEMBL1582483 0.72 MEN1 (0.45) FPR2PIK3CDCNR1CNR2TRPA1
SCHEMBL19882810 0.71 PIK3CD (0.39) FPR2PIK3CDCNR1CNR2TRPA1

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-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 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-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP FPR2 4413/4885PIK3CD 1647/4885CNR1 3133/4885

“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.