SCHEMBL4642756

SCHEMBL4642756

Cc1cc(C)cc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.55
MAOB P27338 2/20 0.50
F2 P00734 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HSP90AA1 P07900 1/20 0.46
XBP1 P17861 1/20 0.46
MPI P34949 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
NAT1 P18440 1/20 0.46
FFAR4 Q5NUL3 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL8542745 0.92 TDP1 (0.47) TDP1MAOBF2SMN1; SMN2L3MBTL1
SCHEMBL5866138 0.88 MEN1 (0.48) TDP1MAOBF2SMN1; SMN2L3MBTL1
SCHEMBL6939225 0.86 MEN1 (0.55) TDP1SMN1; SMN2L3MBTL1LMNAHTT
SCHEMBL4622013 0.86 TDP1 (0.64) TDP1MAOBSMN1; SMN2L3MBTL1LMNA
SCHEMBL4127164 0.85 PPARG (0.56) TDP1MAOBF2SMN1; SMN2L3MBTL1
SCHEMBL7444372 0.83 F2 (0.53) MAOBF2CA12CA2
SCHEMBL14878116 0.83 F2 (0.55) F2
SCHEMBL2237142 0.82 TDP1 (0.67) TDP1MAOBSMN1; SMN2LMNAHTT
SCHEMBL29671345 0.82 CA12 (0.52) F2MAPTCA12CA2
SCHEMBL7377227 0.82 F2 (0.54) F2

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
EP-1581467-B1 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INST TECHNOLOGY (US) 2016-10-12 EP disclosed
EP-2583958-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2016-08-10 EP disclosed
EP-2583958-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Institute of Technology (MIT) (US) 2013-04-24 EP disclosed
EP-1581467-A4 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INST TECHNOLOGY (US) 2008-08-13 EP disclosed
US-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 US disclosed
EP-1581467-A2 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-10-05 EP disclosed
US-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2004-09-02 US disclosed
WO-2004052939-A2 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-06-24 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-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SLC30A6, SOD1 TDP1 4185/4885MAOB 942/4885F2 1018/4885

“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.