SCHEMBL1075764

SCHEMBL1075764

CCCCCN(C)c1cccc(Oc2ccc(NS(=O)(=O)c3ccc(OCCCC)cc3)c(C(=O)OC)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.47
CACNA1H O95180 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
LMNA P02545 4/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MTNR1A P48039 7/20 0.41
MTNR1B P49286 7/20 0.41
MCL1 Q07820 1/20 0.41
BCL2A1 Q16548 1/20 0.41

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
SCHEMBL1028457 0.84 CYP2C9 (0.50) CACNA1BCACNA1HCYP1A2CYP2C9LMNA
SCHEMBL1075767 0.82 CACNA1B (0.49) CACNA1BCACNA1HCYP1A2CYP2C9LMNA
SCHEMBL1074016 0.78 CACNA1B (0.46) CACNA1BCACNA1HCYP1A2CYP2C9LMNA
SCHEMBL3514343 0.77 CYP2C9 (0.55) CYP1A2CYP2C9LMNAHTTSMN1; SMN2
SCHEMBL3035703 0.76 LMNA (0.56) CYP1A2CYP2C9LMNAHTTSMN1; SMN2
SCHEMBL13034743 0.76 CYP2C9 (0.52) CYP1A2CYP2C9LMNAMCL1
SCHEMBL3512721 0.74 CYP2C9 (0.52) CYP1A2CYP2C9LMNAHTTSMN1; SMN2
SCHEMBL3512980 0.72 CYP2C9 (0.72) CYP1A2CYP2C9LMNAHTTSMN1; SMN2
SCHEMBL3511872 0.72 CYP2C9 (0.57) CYP1A2CYP2C9LMNAHTTSMN1; SMN2
SCHEMBL3514314 0.72 CYP2C9 (0.49) CYP1A2CYP2C9LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (LV) 2011-03-24 US disclosed
EP-2274280-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS Biolipox AB (SE) 2011-01-19 EP disclosed
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R CACNA1B 2956/4885CACNA1H 3075/4885CYP1A2 88/4885

“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.