SCHEMBL2861550

SCHEMBL2861550

O=S(=O)(NCc1ccccc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 7/20 0.58
ALDH1A1 P00352 3/20 0.50
KEAP1 Q14145 1/20 0.50
LMNA P02545 1/20 0.50
SLC12A2 P55011 1/20 0.50
SLC12A5 Q9H2X9 1/20 0.50
GFER P55789 1/20 0.50
CYP2D6 P10635 1/20 0.48
CYP19A1 P11511 1/20 0.48
CA12 O43570 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ATM Q13315 1/20 0.48
CA9 Q16790 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL9722718 0.85 CYP2D6 (0.67) ILKALDH1A1KEAP1LMNASLC12A2
SCHEMBL2860319 0.84 ILK (0.62) ILKALDH1A1KEAP1LMNASLC12A2
SCHEMBL2869002 0.82 PKM (0.58) ILKALDH1A1LMNAGFERCA12
SCHEMBL28770666 0.75 ALDH1A1 (0.58) ILKALDH1A1KEAP1LMNASLC12A2
SCHEMBL2868935 0.75 PTPN1 (0.55) CYP2D6HTT
SCHEMBL686421 0.74 ILK (0.78) ILK
SCHEMBL14346138 0.73 IDO1 (0.61) ALDH1A1KEAP1LMNASLC12A2SLC12A5
SCHEMBL10791860 0.72 ALDH1A1 (0.49) ILKALDH1A1LMNAGFERCYP2D6
SCHEMBL38660104 0.72 CYP19A1 (0.85) ALDH1A1KEAP1LMNASLC12A2SLC12A5
SCHEMBL3681880 0.72 CYP19A1 (0.85) ALDH1A1KEAP1LMNASLC12A2SLC12A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723366-B2 Azole compounds as malonyl-CoA decarboxylase inhibitors for treating metabolic diseases CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-25 US disclosed
US-7723366-B2 Azole compounds as malonyl-CoA decarboxylase inhibitors for treating metabolic diseases CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-25 US disclosed
US-7723366-B2 Azole compounds as malonyl-CoA decarboxylase inhibitors for treating metabolic diseases CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-25 US disclosed
EP-1379243-B1 METHODS FOR TREATING METABOLIC DISEASES USING MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-09-09 EP disclosed
EP-1379243-B1 METHODS FOR TREATING METABOLIC DISEASES USING MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-09-09 EP disclosed
US-20040082564-A1 Methods for treating metabolic diseases using malonyl-coa decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-29 US disclosed
EP-1379243-A1 METHODS FOR TREATING METABOLIC DISEASES USING MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-14 EP disclosed
WO-2002066034-A1 METHODS FOR TREATING METABOLIC DISEASES USING MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO 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-20040082564-A1 Methods for treating metabolic diseases using malonyl-coa decarboxylase inhibitors ME1, ME3, ME2 ILK 4863/4885ALDH1A1 120/4885KEAP1 733/4885

“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.