SCHEMBL1002455

SCHEMBL1002455

O=C(O)C=Cc1cccc(S(=O)(=O)N2CCCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
LMNA P02545 3/20 0.61
TSHR P16473 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
THRB P10828 2/20 0.61
MAPT P10636 4/20 0.58
IL1RN P18510 1/20 0.58
KMT2A Q03164 4/20 0.58
POLB P06746 3/20 0.58
HDAC3 O15379 5/20 0.58
HDAC4 P56524 5/20 0.58
HDAC1 Q13547 5/20 0.58
HDAC7 Q8WUI4 5/20 0.58
HDAC2 Q92769 5/20 0.58
HDAC10 Q969S8 5/20 0.58
HDAC11 Q96DB2 5/20 0.58
HDAC8 Q9BY41 5/20 0.58
HDAC6 Q9UBN7 5/20 0.58
HDAC9 Q9UKV0 5/20 0.58
HDAC5 Q9UQL6 5/20 0.58

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
SCHEMBL1002454 1.00 ALDH1A1 (0.61) ALDH1A1LMNATSHRNPSR1THRB
SCHEMBL1374598 0.85 HDAC3 (0.79) ALDH1A1LMNATSHRTHRBKMT2A
SCHEMBL1374601 0.85 HDAC3 (0.79) ALDH1A1LMNATSHRTHRBKMT2A
SCHEMBL1002176 0.82 ALDH1A1 (0.57) ALDH1A1LMNATSHRNPSR1THRB
SCHEMBL1374591 0.82 MEN1 (0.66) ALDH1A1MAPTKMT2AHDAC3HDAC4
SCHEMBL1374587 0.82 MEN1 (0.66) ALDH1A1MAPTKMT2AHDAC3HDAC4
SCHEMBL1374566 0.82 HDAC3 (0.78) ALDH1A1LMNAKMT2AHDAC3HDAC4
SCHEMBL1374564 0.82 HDAC3 (0.78) ALDH1A1LMNAKMT2AHDAC3HDAC4
SCHEMBL1373928 0.81 HDAC3 (0.79) ALDH1A1LMNATHRBMAPTKMT2A
SCHEMBL1375322 0.81 HDAC3 (0.80) ALDH1A1LMNATSHRTHRBMAPT

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 ALDH1A1 188/4885LMNA 1767/4885TSHR 3094/4885

“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.