SCHEMBL2519672

SCHEMBL2519672

COC(=O)[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
LMNA P02545 4/20 0.50
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MMP2 P08253 4/20 0.47
ANPEP P15144 2/20 0.47
PTGER3 P43115 1/20 0.45
MMP8 P22894 2/20 0.41
MMP3 P08254 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2519677 1.00 ESR1 (0.56) ESR1LMNAPOLBMEN1GAA
SCHEMBL644486 0.89 ALDH1A1 (0.52) LMNAPOLBMEN1GAAMAPT
SCHEMBL3588564 0.87 LMNA (0.47) ESR1LMNAPOLBMEN1GAA
SCHEMBL4843221 0.86 MMP8 (0.52) LMNAPOLBMEN1GAAMAPT
SCHEMBL926563 0.85 NPSR1 (0.48) ESR1LMNAPOLBMEN1GAA
SCHEMBL2519245 0.85 ALDH1A1 (0.53) MEN1MAPK1KMT2AALDH1A1NPSR1
SCHEMBL2519247 0.85 ALDH1A1 (0.53) MEN1MAPK1KMT2AALDH1A1NPSR1
SCHEMBL927698 0.85 ESR1 (0.57) ESR1LMNAPOLBALDH1A1NPSR1
SCHEMBL644139 0.84 ALDH1A1 (0.47) LMNAPOLBMEN1GAAMAPT
SCHEMBL5847318 0.82 DRD2 (0.45) LMNAPOLBMEN1GAAMAPT

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-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2011-10-13 US disclosed
US-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2009-05-07 US disclosed
EP-1448523-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE NOVARTIS AG (CH) 2007-08-22 EP disclosed
US-20070135502-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW T 2007-06-14 US disclosed
US-7183304-B2 such as (R)-1-{4-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-benzenesulfonyl}-azetidine-2-carboxylic acid, used as peroxisome proliferator-activated receptor agonists; hypoglycemic agents NOVARTIS AG (CH) 2007-02-27 US disclosed
US-20040248936-A1 Heterocyclic compounds and methods of use BACH ANDREW THOMAS (US) 2004-12-09 US disclosed
EP-1448523-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Novartis AG (CH) 2004-08-25 EP disclosed
WO-2003043985-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE NOVARTIS AG (CH) 2003-05-30 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 (4 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-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD ESR1 1094/4885LMNA 3283/4885POLB 1540/4885
US-20040248936-A1 Heterocyclic compounds and methods of use PPARG, GPR119, PPARD ESR1 1073/4885LMNA 3196/4885POLB 1810/4885
US-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD ESR1 1094/4885LMNA 3283/4885POLB 1540/4885
US-20070135502-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD ESR1 1094/4885LMNA 3283/4885POLB 1540/4885

“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.