SCHEMBL1028457

SCHEMBL1028457

CCCCOc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(N)c3)cc2C(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.50
CYP1A2 P05177 2/20 0.50
LMNA P02545 5/20 0.49
HTT P42858 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TSHR P16473 3/20 0.49
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CACNA1B Q00975 2/20 0.45
MCL1 Q07820 1/20 0.45
BCL2A1 Q16548 1/20 0.45
WDR5 P61964 1/20 0.44
KAT6A Q92794 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CACNA1H O95180 1/20 0.43

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
SCHEMBL3035703 0.89 LMNA (0.56) CYP2C9CYP1A2LMNAHTTSMN1; SMN2
SCHEMBL1075767 0.84 CACNA1B (0.49) CYP2C9CYP1A2LMNAHTTSMN1; SMN2
SCHEMBL1075764 0.84 CACNA1B (0.47) CYP2C9CYP1A2LMNAHTTSMN1; SMN2
SCHEMBL1076677 0.83
SCHEMBL1074016 0.82 CACNA1B (0.46) CYP2C9CYP1A2LMNAHTTSMN1; SMN2
SCHEMBL3512721 0.80 CYP2C9 (0.52) CYP2C9CYP1A2LMNAHTTSMN1; SMN2
SCHEMBL2892466 0.80 LMNA (0.50) CYP2C9CYP1A2LMNAHTTSMN1; SMN2
SCHEMBL3514343 0.79 CYP2C9 (0.55) CYP2C9CYP1A2LMNAHTTSMN1; SMN2
SCHEMBL3516509 0.77 CYP2C9 (0.53) CYP2C9CYP1A2LMNAHTTSMN1; SMN2
SCHEMBL3514430 0.77 CYP2C9 (0.52) CYP2C9CYP1A2LMNAHTTSMN1; 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 CYP2C9 282/4885CYP1A2 88/4885LMNA 710/4885

“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.