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
SCHEMBL8825214 0.76 LOX (0.61) HTR6LOXLOXL2MAOA
SCHEMBL16797498 0.76 HTR6 (0.56) HTR6LOXLOXL2MAOASMN1; SMN2
SCHEMBL787866 0.76 HTR6 (0.56) HTR6LOXLOXL2MAOAKMT2A
SCHEMBL9235944 0.76 LOX (0.61) HTR6LOXLOXL2MAOA
SCHEMBL14502555 0.76 HTR6 (0.56) HTR6LOXLOXL2MAOAKCNH2
SCHEMBL4250025 0.76 HTR6 (0.56) HTR6LOXLOXL2MAOAKMT2A
SCHEMBL14519932 0.76 LOX (0.51) 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.

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