SCHEMBL1003224

SCHEMBL1003224

COc1cccnc1NC(=O)c1cccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccc3)C2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 3/20 0.59
HTT P42858 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
NPC1 O15118 1/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 1/20 0.55
TP53 P04637 1/20 0.53
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL1000611 0.89 MEN1 (0.51) L3MBTL1ALDH1A1HTTKMT2AMEN1
SCHEMBL1001640 0.89 CYP2C19 (0.49) L3MBTL1ALDH1A1HTTMAPTUSP2
SCHEMBL1001634 0.88 LMNA (0.51) L3MBTL1ALDH1A1HTTNPSR1KMT2A
SCHEMBL1000551 0.87 LMNA (0.51) L3MBTL1ALDH1A1HTTKMT2AMEN1
SCHEMBL1003213 0.86 TDP1 (0.58) ALDH1A1HTTLMNA
SCHEMBL1000768 0.85 ALDH1A1 (0.58) ALDH1A1HTTNPSR1KMT2AMEN1
SCHEMBL1000769 0.82 MEN1 (0.65) L3MBTL1ALDH1A1HTTNPC1KMT2A
SCHEMBL1001588 0.81 MEN1 (0.67) L3MBTL1ALDH1A1HTTNPC1KMT2A
SCHEMBL1001317 0.77 KMT2A (0.52) L3MBTL1ALDH1A1HTTNPSR1KMT2A
SCHEMBL1001283 0.77 KMT2A (0.54) L3MBTL1ALDH1A1HTTKMT2AMEN1

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 L3MBTL1 511/4885ALDH1A1 188/4885HTT 1119/4885

“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.