SCHEMBL5149944

SCHEMBL5149944

CSOC(=O)c1ccc(C2CCCN2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
MCHR1 Q99705 1/20 0.38
PARP1 P09874 12/20 0.37
PARP2 Q9UGN5 5/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
MAP4K4 O95819 1/20 0.35
CSF1R P07333 1/20 0.35
PIM1 P11309 1/20 0.35
CLK2 P49760 1/20 0.35
MAP4K2 Q12851 1/20 0.35
DYRK1A Q13627 1/20 0.35
MINK1 Q8N4C8 1/20 0.35

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
SCHEMBL6208733 0.83 MKNK1 (0.40) L3MBTL1MCHR1PARP1PARP2PRKAB2
SCHEMBL17782307 0.78 PRKAB2 (0.45) L3MBTL1MCHR1PARP1PARP2PRKAB2
SCHEMBL17782308 0.78 PRKAB2 (0.45) L3MBTL1MCHR1PARP1PARP2PRKAB2
SCHEMBL27589129 0.75 L3MBTL1 (0.45) L3MBTL1MCHR1PARP1PARP2PRKAB2
SCHEMBL5149954 0.75 L3MBTL1 (0.39) L3MBTL1MCHR1PARP1PARP2PRKAB2
SCHEMBL5156518 0.75 PARP1 (0.40) PARP1PARP2PARP3
SCHEMBL3333762 0.73 L3MBTL1 (0.53) L3MBTL1MKNK1
SCHEMBL6208735 0.70 MKNK1 (0.43) L3MBTL1MCHR1PARP1PARP2PRKAB2
SCHEMBL13741356 0.70 ALDH1A1 (0.48) L3MBTL1
SCHEMBL21806476 0.69 CA12 (0.49) MCHR1MKNK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 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 (2 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 L3MBTL1 703/4885MCHR1 4108/4885PARP1 1980/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 L3MBTL1 503/4885MCHR1 3939/4885PARP1 1994/4885

“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.