SCHEMBL13086215

SCHEMBL13086215

Cc1ccc(N(CCCS(=O)(=O)O)CCCS(=O)(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.41
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
RAB9A P51151 1/20 0.40
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CNR1 P21554 5/20 0.38
MAPT P10636 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 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
SCHEMBL6302951 0.92 CNR2 (0.47) CNR2CYP2C19ALDH1A1CYP2C9CNR1
SCHEMBL13086171 0.89 LMNA (0.43) CNR2ALDH1A1RAB9AKEAP1NFE2L2
SCHEMBL17491037 0.89 CNR2 (0.41) CNR2CYP2C19ALDH1A1CYP2C9CYP3A4
SCHEMBL13086504 0.85 SMN1; SMN2 (0.43) CNR2CYP2C19ALDH1A1CYP2C9CYP3A4
SCHEMBL12298626 0.84 RAB9A (0.42) CNR2CYP2C19ALDH1A1CYP2C9CYP3A4
SCHEMBL4443205 0.82 CYP2D6 (0.44) CNR2CYP2C19ALDH1A1CYP2C9CYP3A4
SCHEMBL8606105 0.82 APP (0.33)
SCHEMBL9347243 0.81 LTA4H (0.38) CNR2CYP2C19ALDH1A1CYP2C9CYP3A4
SCHEMBL244232 0.81 CNR2 (0.35) CNR2CYP2C19ALDH1A1CYP2C9CYP3A4
SCHEMBL11145734 0.81 APP (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129788-B1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS LLC (US) 2014-09-03 EP disclosed
US-20100266507-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2010-10-21 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 (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-20100266507-A1 LUMINESCENT COMPOUNDS SQLE, COASY, ZKSCAN2 CNR2 2139/4885CYP2C19 3617/4885ALDH1A1 2552/4885

“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.