SCHEMBL1000773

SCHEMBL1000773

CC(C)Oc1ccc(N(C(=O)C(F)(F)F)c2cccc(S(=O)(=O)N3CCCC(c4nncn4C)C3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
BCL9 O00512 12/20 0.38
CTNNB1 P35222 12/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SCN9A Q15858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
UBE2N P61088 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
Trifluoroacetic Acid SCHEMBL1000772 0.82 KMT2A (0.48) MEN1KMT2AKDM4E
SCHEMBL1000491 0.81 MEN1 (0.42) TP53MEN1KMT2AKDM4EUBE2N
SCHEMBL1002016 0.78 MEN1 (0.40) MEN1KMT2AKDM4EUBE2N
SCHEMBL1000752 0.78 TP53 (0.38) TP53MEN1KMT2AKDM4EUBE2N
SCHEMBL1003879 0.77 LPL (0.38) TP53KDM4E
SCHEMBL1002029 0.76 CHRM2 (0.42) KMT2A
SCHEMBL1000615 0.73 HSD11B1 (0.45)
SCHEMBL1001382 0.71 AKR1C3 (0.39) TP53
SCHEMBL1000751 0.62 KMT2A (0.55) MEN1KMT2AKDM4E
SCHEMBL29775497 0.61 PKM (0.47) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280001-B1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD KK (JP) 2014-10-15 EP disclosed
US-8420823-B2 Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient MSD K.K. (JP) 2013-04-16 US disclosed
EP-2280001-A1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT Banyu Pharmaceutical Co., Ltd. (JP) 2011-02-02 EP disclosed
US-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD K.K. (JP) 2011-01-13 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-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT ELOVL1, ELOVL6, ELOVL3 TP53 4191/4885BCL9 1551/4885CTNNB1 3396/4885

“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.