SCHEMBL2398404

SCHEMBL2398404

CN(C)CCn1cccc(-c2ccc(C(=O)O)cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.47
ITGA4 P13612 2/20 0.47
FOLH1 Q04609 1/20 0.39
CSNK2A1 P68400 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
HPGD P15428 2/20 0.39
BCL2 P10415 3/20 0.38
NR1H4 Q96RI1 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SCN2A Q99250 1/20 0.36
USP2 O75604 1/20 0.36
HEXA P06865 1/20 0.36
HEXB P07686 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
SCHEMBL12263336 0.92 ITGB1 (0.46) ITGB1ITGA4FOLH1HPGDBCL2
SCHEMBL12263299 0.87 ITGB1 (0.46) ITGB1ITGA4ADORA2AADORA2BHPGD
SCHEMBL2396562 0.86 ALDH1A1 (0.43) ITGB1ITGA4ADORA2AADORA2BHPGD
SCHEMBL12263342 0.86 ITGB1 (0.45) ITGB1ITGA4HPGDNR1H4KDM4E
SCHEMBL12263321 0.85 ITGB1 (0.43) ITGB1ITGA4HPGDBCL2ALDH1A1
SCHEMBL12263322 0.83 ITGB1 (0.43) ITGB1ITGA4HPGDNR1H4ALDH1A1
SCHEMBL12263354 0.83 ITGB1 (0.41) ITGB1ITGA4FOLH1HPGDBCL2
SCHEMBL12263317 0.83 ITGB1 (0.45) ITGB1ITGA4FOLH1ADORA2AADORA2B
SCHEMBL12263451 0.82 ITGB1 (0.47) ITGB1ITGA4HPGDALDH1A1PTGER4
SCHEMBL12263326 0.81 ITGB1 (0.40) ITGB1ITGA4KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101304969-B Benzene derivative or salt thereof ASTELLAS PHARMA INC 2012-01-18 CN disclosed
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-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
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
CN-101304969-A Benzene derivative or salt thereof ASTELLAS PHARMA INC (JP) 2008-11-12 CN disclosed
EP-1947086-A1 BENZENE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-07-23 EP 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 3624/4885FOLH1 4240/4885

“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.