SCHEMBL5860032

SCHEMBL5860032

COC(=O)C1=Cc2cc(S(=O)(=O)Cl)ccc2OC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.45
CA9 Q16790 6/20 0.45
CA2 P00918 3/20 0.45
MAOB P27338 2/20 0.44
SHMT2 P34897 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 3/20 0.43
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL11526406 0.81 CA12 (0.66) CA12CA9CA2MAOBSHMT2
SCHEMBL24229499 0.80 NR1H4 (0.49) CA12CA9CA2MAOBSHMT2
SCHEMBL5858926 0.79 SHMT2 (0.47) CA12CA9CA2MAOBSHMT2
SCHEMBL1758715 0.79 MAPT (0.55) CA12CA9CA2MAOBSHMT2
SCHEMBL2738436 0.75 CA12 (0.62) CA12CA9MAOBMEN1KMT2A
SCHEMBL30529047 0.75 CA12 (0.62) CA12CA9MAOBMEN1KMT2A
SCHEMBL1810408 0.73 CA12 (0.51) CA12CA9CA2MAOBSHMT2
SCHEMBL415706 0.72 CA12 (0.59) CA12CA9CA2MAOBSHMT2
SCHEMBL1519708 0.71 ALDH1A1 (0.55) MAOBMEN1KMT2AHTTMAPT
SCHEMBL5519316 0.70 ALOX5 (0.49) CA12CA9CA2MAOBSHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109222-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY, LLC (US) 2006-09-19 US disclosed
US-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-26 US disclosed
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-19 US disclosed
US-6867224-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY (US) 2005-03-15 US disclosed
EP-1480641-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY (US) 2004-12-01 EP disclosed
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US disclosed
WO-2003074051-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (GB) 2003-09-12 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 (3 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-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG CA12 4837/4885CA9 4318/4885CA2 3623/4885
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG CA12 4837/4885CA9 4318/4885CA2 3623/4885
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG CA12 4837/4885CA9 4318/4885CA2 3623/4885

“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.