SCHEMBL1074016

SCHEMBL1074016

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.46
CACNA1H O95180 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 3/20 0.43
TSHR P16473 2/20 0.43
FAAH O00519 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 2/20 0.42
KAT6A Q92794 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL1075767 0.84 CACNA1B (0.49) CACNA1BCACNA1HCYP1A2CYP2C9LMNA
SCHEMBL1028457 0.82 CYP2C9 (0.50) CACNA1BCACNA1HCYP1A2CYP2C9LMNA
SCHEMBL1075764 0.78 CACNA1B (0.47) CACNA1BCACNA1HCYP1A2CYP2C9LMNA
SCHEMBL6470099 0.78 FAAH (0.66) LMNASMN1; SMN2HTTFAAHALDH1A1
SCHEMBL3035703 0.75 LMNA (0.56) CYP1A2CYP2C9LMNASMN1; SMN2HTT
SCHEMBL1028380 0.74 CDK8 (0.43) TSHRFAAHALDH1A1HPGDGAA
SCHEMBL3514343 0.73 CYP2C9 (0.55) CYP1A2CYP2C9LMNASMN1; SMN2HTT
SCHEMBL1076132 0.73 TDP1 (0.50) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3512980 0.71 CYP2C9 (0.72) CYP1A2CYP2C9LMNASMN1; SMN2HTT
SCHEMBL3511872 0.71 CYP2C9 (0.57) CYP1A2CYP2C9LMNASMN1; SMN2HTT

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.