SCHEMBL1003909

SCHEMBL1003909

CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)c3ncccn3)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.49
TSHR P16473 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
KAT6A Q92794 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RARA P10276 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL1001546 0.89 TSHR (0.49) GCKTSHRNPC1RAB9ALMNA
SCHEMBL1002121 0.87 ALDH1A1 (0.54) LMNASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL1001412 0.76 LMNA (0.47) LMNASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL1001301 0.75 NAMPT (0.60) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL1002278 0.75 ALDH1A1 (0.52) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL1002219 0.74 TDP1 (0.54) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL1001594 0.74 TDP1 (0.54) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL1002703 0.74 TDP1 (0.54) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL1000696 0.73 SMN1; SMN2 (0.50) RAB9ALMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL1000780 0.73 RAB9A (0.54) TSHRNPC1RAB9ALMNASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420823-B2 Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient MSD K.K. (JP) 2013-04-16 US claimed
US-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD K.K. (JP) 2011-01-13 US 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 GCK 2534/4885TSHR 3094/4885NPC1 899/4885

“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.