SCHEMBL5429319

SCHEMBL5429319

CC(C)C[C@@H](C(N)=O)N(CCCN(C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
CTSK P43235 3/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
REN P00797 1/20 0.36
KCNA5 P22460 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL13494190 0.81 L3MBTL1 (0.45) L3MBTL1ALDH1A1SYK
SCHEMBL5443101 0.80 CCR6 (0.45) CTSKCTSLCTSBCTSSKCNA5
SCHEMBL7439259 0.79 L3MBTL1 (0.43) L3MBTL1CTSKCTSBSYK
SCHEMBL7775544 0.78 L3MBTL1 (0.50) L3MBTL1ALDH1A1SYK
SCHEMBL8184106 0.76 CTSK (0.53) CTSKCTSLCTSBCTSSAAK1
SCHEMBL21998139 0.76 L3MBTL1 (0.56) L3MBTL1ALDH1A1SYK
SCHEMBL27853178 0.76 CTSK (0.48) L3MBTL1CTSKCTSLCTSBCTSS
SCHEMBL13519510 0.76 CTSK (0.48) L3MBTL1CTSKCTSLCTSBCTSS
SCHEMBL16205770 0.76 L3MBTL1 (0.43) L3MBTL1ALDH1A1SYK
SCHEMBL19586697 0.75 TPSAB1 (0.46) L3MBTL1CTSKCTSLCTSBCTSS

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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 L3MBTL1 3835/4885CTSK 3434/4885CTSL 1399/4885

“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.