SCHEMBL9971313

SCHEMBL9971313

Cc1ccc(S(=O)(=O)c2ccccc2)s1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.56
LOX P28300 8/20 0.56
LOXL2 Q9Y4K0 6/20 0.56
MAOA P21397 1/20 0.56
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
NAMPT P43490 2/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.41
LOXL3 P58215 1/20 0.39
KCNH2 Q12809 1/20 0.39
AOC3 Q16853 1/20 0.39

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
SCHEMBL14572440 0.80 HTR6 (0.56) HTR6LOXLOXL2MAOASMN1; SMN2
(Phenylsulfonyl)Benzene SCHEMBL25435825 0.78 HTR6 (0.93) HTR6LOXLOXL2MAOASMN1; SMN2
SCHEMBL16797498 0.76 HTR6 (0.56) HTR6LOXLOXL2MAOASMN1; SMN2
SCHEMBL8825214 0.76 LOX (0.61) HTR6LOXLOXL2MAOA
SCHEMBL4250025 0.76 HTR6 (0.56) HTR6LOXLOXL2MAOAKMT2A
SCHEMBL14502555 0.76 HTR6 (0.56) HTR6LOXLOXL2MAOAKCNH2
SCHEMBL787866 0.76 HTR6 (0.56) HTR6LOXLOXL2MAOAKMT2A
SCHEMBL9235944 0.76 LOX (0.61) HTR6LOXLOXL2MAOA
SCHEMBL11125174 0.76 LOX (0.53) HTR6LOXLOXL2MAOASMN1; SMN2
SCHEMBL12619971 0.76 LOX (0.70) HTR6LOXLOXL2MAOALOXL3

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
WO-2017141049-A1 METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2017-08-24 WO disclosed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
CN-1040213-C Diaryl 5,6-fusedheterocyclic acids as leukotriene antagonists MERCK FROSCT CANADA INC (CA) 1998-10-14 CN 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-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 HTR6 2387/4885LOX 1603/4885LOXL2 2027/4885

“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.