SCHEMBL1000445

SCHEMBL1000445

CC(C)COc1ccc(NC(=O)c2cccc(S(=O)(=O)c3ccccn3)c2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.48
NR4A2 P43354 1/20 0.44
DHODH Q02127 1/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR1H4 Q96RI1 2/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL1000780 0.90 RAB9A (0.54) KAT6ALMNAMAPTTSHRALDH1A1
SCHEMBL1000622 0.89 GCK (0.45) LMNARAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL999897 0.89 TSHR (0.45) LMNAMAPTTSHRMEN1ALDH1A1
SCHEMBL1002283 0.88 RAB9A (0.44) LMNAMAPTTSHRMEN1ALDH1A1
SCHEMBL1003384 0.86 RAB9A (0.41) LMNATSHRMEN1ALDH1A1HTT
SCHEMBL1001322 0.82 MEN1 (0.45) KAT6ATP53LMNATSHRMEN1
SCHEMBL1001199 0.81 KAT6A (0.47) KAT6ALMNATSHRMEN1MAPK1
SCHEMBL1001546 0.74 TSHR (0.49) KAT6ALMNATSHRALDH1A1HTT
SCHEMBL1002215 0.73 SMN1; SMN2 (0.54) TP53LMNAMAPTTSHRMEN1
SCHEMBL1000488 0.70 LMNA (0.43) KAT6ALMNATSHRMEN1ALDH1A1

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 KAT6A 775/4885NR4A2 2808/4885DHODH 1323/4885

“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.