SCHEMBL1000752

SCHEMBL1000752

CC(C)Oc1ccc(N(C(=O)C(F)(F)F)c2cccc(S(=O)(=O)N3CCCC(CN4CCOCC4)C3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PKM P14618 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
OPRK1 P41145 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
UBE2N P61088 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 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 SCHEMBL1000750 0.81 SMN1; SMN2 (0.50) TP53MEN1KMT2AKDM4EALDH1A1
SCHEMBL1000491 0.81 MEN1 (0.42) TP53MEN1KMT2AKDM4EALDH1A1
SCHEMBL1002016 0.79 MEN1 (0.40) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL1002029 0.78 CHRM2 (0.42) KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL1000773 0.78 TP53 (0.39) TP53MEN1KMT2AKDM4EUBE2N
SCHEMBL1003879 0.78 LPL (0.38) TP53KDM4EALDH1A1CYP4F2CYP4A11
Trifluoroacetic Acid SCHEMBL28004743 0.72 SMN1; SMN2 (0.51) TP53MEN1KMT2AKDM4EALDH1A1
SCHEMBL1000615 0.72 HSD11B1 (0.45)
SCHEMBL1001382 0.70 AKR1C3 (0.39) TP53
SCHEMBL28185161 0.69 KMT2A (0.50) TP53MEN1KMT2AKDM4EALDH1A1

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 4191/4885MEN1 4600/4885KMT2A 473/4885

“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.