SCHEMBL1000696

SCHEMBL1000696

Cc1ccnc(S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(C)C)cc3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.47
USP36 Q9P275 1/20 0.46
NT5E P21589 1/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
BRAF P15056 1/20 0.44
MAPK14 Q16539 1/20 0.44
SMO Q99835 1/20 0.44
NAMPT P43490 2/20 0.44
RAB9A P51151 1/20 0.44
KAT6A Q92794 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
SCHEMBL1002278 0.86 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1LMNATP53MAPK1
SCHEMBL1002121 0.84 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1LMNATP53MAPK1
SCHEMBL1000746 0.84 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNATP53MAPK1
SCHEMBL1001301 0.81 NAMPT (0.60) SMN1; SMN2ALDH1A1LMNATP53MAPK1
SCHEMBL1001412 0.79 LMNA (0.47) SMN1; SMN2ALDH1A1LMNATP53MAPK1
SCHEMBL1001981 0.78 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNATP53MAPK1
SCHEMBL999826 0.78 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1LMNATP53MAPK1
SCHEMBL1001546 0.77 TSHR (0.49) SMN1; SMN2ALDH1A1LMNAHTTRAB9A
SCHEMBL1000780 0.76 RAB9A (0.54) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL1002215 0.75 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNATP53MEN1

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 SMN1; SMN2 965/4885ALDH1A1 188/4885LMNA 1767/4885

“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.