SCHEMBL12263285

SCHEMBL12263285

CN1CCN(CCn2cccc(-c3ccc(C(=O)O)cc3)c2=O)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
CECR2 Q9BXF3 1/20 0.37
OPRK1 P41145 2/20 0.36
OPRM1 P35372 1/20 0.36
SLC2A1 P11166 1/20 0.35
PIK3CD O00329 1/20 0.35
HPGD P15428 2/20 0.34
FABP1 P07148 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
RXRA P19793 1/20 0.33

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
SCHEMBL2398557 0.88 CHKA (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL12263345 0.83 ITGB1 (0.44) ITGB1ITGA4OPRK1OPRM1KDM4E
SCHEMBL12263363 0.83 MEN1 (0.40) ITGB1ITGA4OPRK1OPRM1SLC2A1
SCHEMBL12263347 0.82 ITGB1 (0.44) ITGB1ITGA4OPRK1OPRM1KDM4E
SCHEMBL12263292 0.81 CNR2 (0.48) ITGB1ITGA4OPRK1HPGDKLKB1
SCHEMBL14141441 0.81 ITGB1 (0.42) ITGB1ITGA4PRKAB2PRKAG1PRKAA2
SCHEMBL12263368 0.80 OPRK1 (0.48) ITGB1ITGA4OPRK1OPRM1KDM4E
SCHEMBL12263324 0.80 CNR2 (0.42) ITGB1ITGA4OPRK1OPRM1KDM4E
SCHEMBL12263311 0.80 KDM4E (0.43) ITGB1ITGA4OPRK1OPRM1HPGD
SCHEMBL12263301 0.78 LMNA (0.42) ITGB1ITGA4PRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
EP-1947086-A1 BENZENE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-07-23 EP 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-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF F12, F2, SERPINC1 ITGB1 3030/4885ITGA4 3624/4885PRKAB2 4764/4885

“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.