SCHEMBL2869002

SCHEMBL2869002

CSc1nc2ccc(S(=O)(=O)NCc3ccccc3)cc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.58
ILK Q13418 2/20 0.57
ALDH1A1 P00352 6/20 0.56
HTT P42858 4/20 0.56
LMNA P02545 4/20 0.56
HPGD P15428 2/20 0.56
TSHR P16473 2/20 0.56
HSP90AA1 P07900 1/20 0.56
GLO1 Q04760 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GFER P55789 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 3/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL2860319 0.83 ILK (0.62) PKMILKALDH1A1LMNAMEN1
SCHEMBL9722718 0.82 CYP2D6 (0.67) PKMILKALDH1A1LMNAHPGD
SCHEMBL2861550 0.82 ILK (0.58) PKMILKALDH1A1HTTLMNA
SCHEMBL28770666 0.75 ALDH1A1 (0.58) PKMILKALDH1A1LMNAGFER
SCHEMBL1105811 0.74 PKM (0.74) PKMALDH1A1HTTLMNAHPGD
SCHEMBL686421 0.74 ILK (0.78) ILK
SCHEMBL5757339 0.73 PKM (0.56) PKMALDH1A1HTTLMNAHPGD
SCHEMBL5245055 0.72 ALDH1A1 (0.58) PKMALDH1A1HTTLMNAHPGD
SCHEMBL5757327 0.72 MMP2 (0.56) PKMALDH1A1LMNAMEN1KMT2A
SCHEMBL17175775 0.71 ALDH1A1 (1.00) ALDH1A1LMNAHPGDKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 US disclosed
US-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 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
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 (2 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-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF NFE2, NFE2L2, UBE2N PKM 4479/4885ILK 4228/4885ALDH1A1 1188/4885
US-20040082564-A1 Methods for treating metabolic diseases using malonyl-coa decarboxylase inhibitors ME1, ME3, ME2 PKM 380/4885ILK 4863/4885ALDH1A1 120/4885

“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.