SCHEMBL1465838

SCHEMBL1465838

CCCCC(C)S(=O)(=O)Nc1ccc(Oc2ccc(N)c(C(=O)OC)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 2/20 0.41
LNPEP Q9UIQ6 2/20 0.41
BRAF P15056 10/20 0.40
HDAC1 Q13547 10/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAF1 P04049 1/20 0.40
ARAF P10398 1/20 0.40
HDAC3 O15379 6/20 0.39
HDAC4 P56524 6/20 0.39
HDAC7 Q8WUI4 6/20 0.39
HDAC2 Q92769 6/20 0.39
HDAC10 Q969S8 6/20 0.39
HDAC11 Q96DB2 6/20 0.39

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
SCHEMBL1074406 0.77 KDM4E (0.46) BRAFHDAC1HPGDKDM4EALDH1A1
SCHEMBL3511250 0.76 KDM4E (0.45) BRAFHDAC1HPGDKDM4EALDH1A1
SCHEMBL1659490 0.74 ALDH1A1 (0.50) BRAFHDAC1HPGDKDM4EALDH1A1
SCHEMBL1074499 0.74 ALDH1A1 (0.52) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL1465840 0.72 ALDH1A1 (0.41) ERAP2LNPEPBRAFHDAC1HPGD
SCHEMBL4257305 0.72 ALDH1A1 (0.56) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL1026723 0.72 BRAF (0.56) BRAFHDAC1HPGDKDM4EALDH1A1
SCHEMBL18638782 0.71 MMP9 (0.49) ALDH1A1GAAMAPTHSD17B10
SCHEMBL2723179 0.71 ALDH1A1 (0.57) BRAFHDAC1HPGDKDM4EALDH1A1
SCHEMBL17530348 0.70 BRAF (0.58) BRAFHDAC1HPGDKDM4EALDH1A1

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 1 patent. 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

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 ERAP2 762/4885LNPEP 873/4885BRAF 4179/4885

“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.