SCHEMBL5440929

SCHEMBL5440929

CC(CCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.64
MAPT P10636 1/20 0.56
IDO1 P14902 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
CTSK P43235 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
CTSB P07858 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A1 P43005 1/20 0.48
ATM Q13315 1/20 0.48
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
NMBR P28336 1/20 0.47

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
SCHEMBL24845372 0.92 MAPT (0.64) SYKMAPTL3MBTL1KLK7KLK5
SCHEMBL13480482 0.88 MAPT (0.65) SYKMAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL28312629 0.88 MAPT (0.57) SYKMAPTL3MBTL1KLK7KLK5
SCHEMBL28312630 0.88 MAPT (0.57) SYKMAPTL3MBTL1KLK7KLK5
SCHEMBL6312582 0.88 SYK (0.74) SYKMAPTCTSKCTSLCTSS
SCHEMBL6312567 0.88 SYK (0.74) SYKMAPTCTSKCTSLCTSS
SCHEMBL2627371 0.88 SYK (0.74) SYKMAPTCTSKCTSLCTSS
SCHEMBL24845246 0.87 MAPT (0.70) SYKMAPTL3MBTL1KLK7KLK5
SCHEMBL16274170 0.87 SYK (0.63) SYKMAPTIDO1L3MBTL1CTSK
SCHEMBL7429956 0.87 SYK (0.63) SYKMAPTIDO1L3MBTL1CTSK

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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
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 SYK 3553/4885MAPT 4350/4885IDO1 769/4885

“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.