SCHEMBL1109912

SCHEMBL1109912

Cc1ccc(S(=O)(=O)O)cc1C(C)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GLRA1 P23415 1/20 0.35
MAPT P10636 1/20 0.35
ADAMTS4 O75173 2/20 0.35
MMP13 P45452 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 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
SCHEMBL21714045 0.85 HTT (0.38) HTTPOLBLMNAL3MBTL1ALDH1A1
SCHEMBL8814807 0.80 HTT (0.44) HTTPOLBLMNAALDH1A1MAPT
SCHEMBL7041454 0.77 LMNA (0.41) HTTPOLBLMNAL3MBTL1ALDH1A1
SCHEMBL1109908 0.76 LMNA (0.37) LMNAL3MBTL1ALDH1A1GLRA1MAPT
SCHEMBL9428250 0.75 HTT (0.44) HTTLMNAL3MBTL1ADAMTS4MMP13
SCHEMBL9099551 0.75 HTT (0.47) HTTPOLBLMNAALDH1A1MAPT
SCHEMBL9101581 0.73 HTT (0.43) HTTLMNAALDH1A1MAPTTSHR
SCHEMBL17417188 0.73 HTT (0.54) HTTLMNAALDH1A1MAPTTSHR
SCHEMBL11082883 0.73 TSHR (0.52) POLBLMNAL3MBTL1ALDH1A1TSHR
SCHEMBL28564255 0.72 LMNA (0.42) HTTPOLBLMNAALDH1A1MAPT

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 HTT 3617/4885POLB 4496/4885LMNA 3305/4885
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 HTT 4777/4885POLB 4612/4885LMNA 3821/4885

“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.