SCHEMBL12263308

SCHEMBL12263308

COC(=O)c1ccc(-c2cccn(CCN3CCS(=O)(=O)CC3)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHKA P35790 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A2 O94788 1/20 0.39
ALDH1A3 P47895 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
HPGD P15428 2/20 0.38
PTPRC P08575 1/20 0.37
PTPRF P10586 1/20 0.37
PTPN1 P18031 1/20 0.37
CDC25B P30305 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL12263448 0.90 CHKA (0.51) ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL12263343 0.89 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL12263346 0.88 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL12263291 0.87 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2HPGDATMNPSR1
SCHEMBL12263311 0.87 KDM4E (0.43) ADORA2AADORA2BHPGDKDM4E
SCHEMBL12263366 0.85 OPRK1 (0.45) ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL12263300 0.84 CARM1 (0.43) ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL12263305 0.83 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL2398557 0.82 CHKA (0.40) ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL12263332 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTHPGDNPSR1

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 ALDH1A1 3722/4885SMN1; SMN2 4094/4885CYP1A2 1520/4885

“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.