SCHEMBL1001640

SCHEMBL1001640

COc1cccnc1NC(=O)c1cccc(S(=O)(=O)N2CCCC(C(=O)OCc3ccccc3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
ADRB2 P07550 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL1000768 0.91 ALDH1A1 (0.58) CYP2C19ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL1003224 0.89 L3MBTL1 (0.60) L3MBTL1ALDH1A1LMNAUSP2HTT
SCHEMBL1000611 0.88 MEN1 (0.51) L3MBTL1ALDH1A1SMN1; SMN2LMNAADRB2
SCHEMBL1001634 0.86 LMNA (0.51) L3MBTL1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL1000551 0.86 LMNA (0.51) L3MBTL1ALDH1A1SMN1; SMN2LMNAADRB2
SCHEMBL1000769 0.81 MEN1 (0.65) L3MBTL1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL1001588 0.81 MEN1 (0.67) L3MBTL1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL1001317 0.77 KMT2A (0.52) L3MBTL1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL1001283 0.77 KMT2A (0.54) L3MBTL1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL1001479 0.76 LMNA (0.49) L3MBTL1ALDH1A1SMN1; SMN2LMNARAB9A

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 CYP2C19 475/4885L3MBTL1 511/4885ALDH1A1 188/4885

“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.