SCHEMBL249027

SCHEMBL249027

C=Cc1ccc(CS(=O)(=O)c2nc3ccccc3s2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
MAPT P10636 5/20 0.63
LMNA P02545 4/20 0.63
HTT P42858 4/20 0.63
KMT2A Q03164 4/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
MEN1 O00255 1/20 0.63
PSMB8 P28062 1/20 0.50
PSMB5 P28074 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
CA14 Q9ULX7 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 2/20 0.43
UBE2T Q9NPD8 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
SCHEMBL19866033 0.82 ALDH1A1 (0.70) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL6029431 0.77 ALDH1A1 (1.00) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL14636698 0.76 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL21827067 0.75 ALDH1A1 (0.60) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL20204134 0.74 ALDH1A1 (0.58) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL3595617 0.74 ALDH1A1 (0.67) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL30149949 0.74 ALDH1A1 (0.67) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL7905772 0.72 ALDH1A1 (0.65) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL9636277 0.72 ALDH1A1 (0.65) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL7646253 0.72 ALDH1A1 (0.65) ALDH1A1MAPTLMNAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588486-B1 SUPPORTED LIGANDS HAVING A HIGH LOCAL DENSITY OF COORDINATING ATOMS CENTRE NAT RECH SCIENT (FR) 2017-05-31 EP disclosed
EP-2588486-B1 SUPPORTED LIGANDS HAVING A HIGH LOCAL DENSITY OF COORDINATING ATOMS CENTRE NAT RECH SCIENT (FR) 2017-05-31 EP disclosed
US-9045511-B2 Supported ligands having a high local density of coordinating atoms CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-06-02 US disclosed
US-9045511-B2 Supported ligands having a high local density of coordinating atoms CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-06-02 US disclosed
US-9045511-B2 Supported ligands having a high local density of coordinating atoms CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-06-02 US disclosed
US-20130158219-A1 SUPPORTED LIGANDS HAVING A HIGH LOCAL DENSITY OF COORDINATING ATOMS UNIVERSITE DE BOURGOGNE (FR) 2013-06-20 US disclosed
US-20130158219-A1 SUPPORTED LIGANDS HAVING A HIGH LOCAL DENSITY OF COORDINATING ATOMS UNIVERSITE DE BOURGOGNE (FR) 2013-06-20 US disclosed
US-20130158219-A1 SUPPORTED LIGANDS HAVING A HIGH LOCAL DENSITY OF COORDINATING ATOMS UNIVERSITE DE BOURGOGNE (FR) 2013-06-20 US disclosed
EP-2588486-A1 SUPPORTED LIGANDS HAVING A HIGH LOCAL DENSITY OF COORDINATING ATOMS Centre National De La Recherche Scientifique (FR) 2013-05-08 EP disclosed
WO-2012001601-A1 SUPPORTED LIGANDS HAVING A HIGH LOCAL DENSITY OF COORDINATING ATOMS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-01-05 WO disclosed
WO-2012001601-A1 SUPPORTED LIGANDS HAVING A HIGH LOCAL DENSITY OF COORDINATING ATOMS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-01-05 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-20130158219-A1 SUPPORTED LIGANDS HAVING A HIGH LOCAL DENSITY OF COORDINATING ATOMS SLC40A1, FECH, IDH2 ALDH1A1 3053/4885MAPT 4233/4885LMNA 4587/4885

“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.