SCHEMBL2431552

SCHEMBL2431552

O=CCN(CCC(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.48
PAX8 Q06710 1/20 0.48
CASR P41180 3/20 0.42
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 6/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
RECQL P46063 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL70301 0.84 CCR6 (0.55) CCR6PAX8SIGMAR1ALDH1A1L3MBTL1
SCHEMBL2434218 0.84 CCR6 (0.53) CCR6PAX8CASRALDH1A1L3MBTL1
SCHEMBL12329624 0.81 CCR6 (0.47) CCR6PAX8CASRALDH1A1L3MBTL1
SCHEMBL7534061 0.80 CCR6 (0.51) CCR6PAX8SIGMAR1ALDH1A1L3MBTL1
SCHEMBL14189784 0.80 LMNA (0.47) CCR6PAX8CASRALDH1A1L3MBTL1
SCHEMBL27092718 0.79 CCR6 (0.50) CCR6PAX8SIGMAR1ALDH1A1L3MBTL1
SCHEMBL19382504 0.79 CCR6 (0.50) CCR6PAX8SIGMAR1ALDH1A1L3MBTL1
SCHEMBL27767505 0.79 ALDH1A1 (0.54) CCR6PAX8SIGMAR1ALDH1A1L3MBTL1
SCHEMBL10662706 0.79 CHRNB2 (0.40) CCR6PAX8CASRALDH1A1L3MBTL1
SCHEMBL10662711 0.79 CCR6 (0.43) CCR6PAX8ALDH1A1HCAR2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366698-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor Galapagos SAS (FR) 2011-09-21 EP disclosed
EP-2041103-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Galapagos SAS (FR) 2009-04-01 EP disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 WO 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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 CCR6 3497/4885PAX8 2334/4885CASR 2/4885

“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.