SCHEMBL1001244

SCHEMBL1001244

CC(C)Oc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)[nH]n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
GAA P10253 2/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
CNR1 P21554 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
MAPT P10636 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
Hydrochloric Acid SCHEMBL997473 0.99 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL16161907 0.99 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL1000760 0.98 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL16162096 0.92 KMT2A (0.61) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL996551 0.91 KMT2A (0.60) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL16161949 0.91 LMNA (0.49) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL16162037 0.91 KMT2A (0.47) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL1001545 0.90 KMT2A (0.46) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL1001632 0.90 LMNA (0.49) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL16161967 0.89 KMT2A (0.47) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A

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 5 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
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 ALDH1A1 188/4885SMN1; SMN2 965/4885L3MBTL1 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.