SCHEMBL1000804

SCHEMBL1000804

CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC(CO)C3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 2/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
CNR1 P21554 1/20 0.51
MAPT P10636 3/20 0.51
THRB P10828 1/20 0.51
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL1003314 0.88 L3MBTL1 (0.59) L3MBTL1GAALMNAMAPK1ALDH1A1
SCHEMBL1000582 0.88 L3MBTL1 (0.59) L3MBTL1GAALMNAMAPK1ALDH1A1
SCHEMBL1001193 0.85 L3MBTL1 (0.56) L3MBTL1GAALMNAMAPK1ALDH1A1
SCHEMBL1000614 0.85 L3MBTL1 (0.76) L3MBTL1GAALMNAMAPK1ALDH1A1
SCHEMBL1001263 0.84 L3MBTL1 (0.78) L3MBTL1GAALMNAMAPK1ALDH1A1
SCHEMBL1001345 0.84 L3MBTL1 (0.78) L3MBTL1GAALMNAMAPK1ALDH1A1
SCHEMBL15276786 0.83 SIRT2 (0.71) L3MBTL1GAALMNAMAPK1ALDH1A1
Trifluoroacetic Acid SCHEMBL28004743 0.83 SMN1; SMN2 (0.51) L3MBTL1GAALMNAMAPK1ALDH1A1
SCHEMBL27855647 0.82 MAPT (0.42) L3MBTL1GAALMNAMAPK1ALDH1A1
SCHEMBL28185161 0.81 KMT2A (0.50) L3MBTL1GAALMNAMAPK1ALDH1A1

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 7 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 claimed
CN-104352492-B Extend enzyme inhibitor using arylsulfonyl derivatives as the long chain fatty acids of active ingredient MSD K.K.公司 2017-12-05 CN disclosed
CN-104352492-A Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient MSD KK 2015-02-18 CN disclosed
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 L3MBTL1 511/4885GAA 607/4885LMNA 1767/4885

“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.