SCHEMBL999690

SCHEMBL999690

CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3[C@H](C)CCC[C@@H]3C)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
CASP3 P42574 1/20 0.52
RAB9A P51151 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 2/20 0.48
ACHE P22303 1/20 0.47

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
SCHEMBL1002268 0.96 MAPT (0.55) L3MBTL1SMN1; SMN2NPC1CASP3RAB9A
SCHEMBL28004287 0.88 MAPT (0.57) POLBL3MBTL1SMN1; SMN2NPC1CASP3
SCHEMBL28004341 0.88 MAPT (0.57) POLBL3MBTL1SMN1; SMN2NPC1CASP3
SCHEMBL999789 0.87 MAPT (0.61) POLBL3MBTL1SMN1; SMN2MAPTLMNA
SCHEMBL1000614 0.83 L3MBTL1 (0.76) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1001345 0.82 L3MBTL1 (0.78) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1001263 0.82 L3MBTL1 (0.78) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1003314 0.80 L3MBTL1 (0.59) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1000582 0.80 L3MBTL1 (0.59) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL28004741 0.80 SMN1; SMN2 (0.55) L3MBTL1SMN1; SMN2NPC1CASP3RAB9A

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 POLB 3156/4885L3MBTL1 511/4885SMN1; SMN2 965/4885

“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.