SCHEMBL1000747

SCHEMBL1000747

CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCC(F)CC3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
MEN1 O00255 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.59
SMN1; SMN2 Q16637 6/20 0.58
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 3/20 0.58
HTT P42858 2/20 0.58
GAA P10253 3/20 0.57
LMNA P02545 2/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 2/20 0.55
USP2 O75604 1/20 0.55
TP53 P04637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL1001582 0.89 KMT2A (0.80) KMT2AMEN1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1001589 0.88 KMT2A (0.64) KMT2AMEN1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1000673 0.83 KMT2A (0.63) KMT2AMEN1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1001300 0.83 KMT2A (0.62) KMT2AMEN1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1001481 0.82 KMT2A (0.56) KMT2AMEN1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1001743 0.82 KMT2A (0.56) KMT2AMEN1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL16161949 0.82 LMNA (0.49) KMT2AMEN1L3MBTL1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL1001632 0.81 LMNA (0.49) KMT2AMEN1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL999626 0.80 ELOVL6 (0.59) KMT2AMEN1L3MBTL1MAPK1HTT
Trifluoroacetic Acid SCHEMBL1000490 0.80 MEN1 (0.51) KMT2AMEN1L3MBTL1SMN1; SMN2ALDH1A1

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 KMT2A 473/4885MEN1 4600/4885L3MBTL1 511/4885

“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.