SCHEMBL1109910

SCHEMBL1109910

Cc1ccc(S(=O)(=O)O)cc1CCOCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
PKM P14618 3/20 0.39
GAA P10253 1/20 0.39
PTGS2 P35354 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
SFRP1 Q8N474 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
PTGS1 P23219 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL8216186 0.92 L3MBTL1 (0.39) ALDH1A1LMNAHTTPKMGAA
SCHEMBL9010034 0.86 PTGS2 (0.38) ALDH1A1LMNAGAAPTGS2PTGS1
SCHEMBL9581272 0.83 ALDH1A1 (0.43) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL900004 0.82 GAA (0.38) ALDH1A1LMNAHTTGAAPTGS2
SCHEMBL9773406 0.81 CA12 (0.43) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5861877 0.81 AOC2 (0.36) ALDH1A1HTTPTGS2PTGS1
SCHEMBL29006523 0.81 PTGS2 (0.45) PTGS2KDM4EPTGS1
SCHEMBL8664631 0.81 AOC2 (0.36) ALDH1A1HTTPTGS2PTGS1
SCHEMBL16684875 0.81 KMT2A (0.44) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL21552592 0.79 ALDH1A1 (0.46) ALDH1A1LMNAPKMGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
EP-2280006-A1 PHARMACEUTICAL COMPOSITION FOR INHALATION COMPRISING AN OXAZOLE OR THIAZOLE M3 MUSCARINIC RECEPTOR ANTAGONIST Pulmagen Therapeutics (Synergy) Limited (GB) 2011-02-02 EP disclosed
EP-1924570-B1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS SYNERGY (GB) 2010-10-20 EP disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 US disclosed
EP-1924570-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE Argenta Discovery Limited (GB) 2008-05-28 EP disclosed
WO-2007017669-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LTD. (GB) 2007-02-15 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-20100113540-A1 Azole and Thiazole Derivatives and Their Use CHRM3, CHRM2, CHRM1 ALDH1A1 2263/4885LMNA 3305/4885HTT 3617/4885
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 ALDH1A1 900/4885LMNA 3821/4885HTT 4777/4885

“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.