SCHEMBL1196441

SCHEMBL1196441

Cc1ccccc1S(=O)(=O)Oc1ccc2cc(C#N)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ ESR1 P03372 2/20 0.62
▸ ESR2 Q92731 2/20 0.62
▸ ATM Q13315 1/20 0.62
▸ POLB P06746 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALPL P05186 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 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
SCHEMBL2233407 0.80 TDP1 (0.54) MEN1KMT2ATDP1L3MBTL1GAA
SCHEMBL1196442 0.78 MEN1 (0.60) MEN1KMT2ATDP1L3MBTL1GAA
SCHEMBL1195227 0.76 ALPL (0.48) ALPLALDH1A1HPGDCA1CA2
SCHEMBL11856777 0.73 MEN1 (0.58) MEN1KMT2AESR1ESR2ATM
SCHEMBL29776988 0.72 POLB (0.62) MEN1KMT2AESR1ESR2ATM
SCHEMBL6912873 0.72 POLB (0.62) MEN1KMT2AESR1ESR2ATM
SCHEMBL1196445 0.71 KMT2A (0.55) KMT2ATDP1L3MBTL1GAAMAPK1
SCHEMBL1195899 0.71 HSD11B1 (0.45) CA1CA2CA9
SCHEMBL9491080 0.70 POLB (0.60) MEN1KMT2AESR1ESR2ATM
SCHEMBL11026640 0.70 MEN1 (0.71) MEN1KMT2AESR1ESR2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110040115-A1 INTERMEDIATES AND PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE FINORGA SAS (FR) 2011-02-17 — — US disclosed
EP-1986985-B1 INTERMEDIATES AND PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE FINORGA SAS (FR) 2010-09-01 — — EP disclosed
EP-1986985-A1 INTERMEDIATES AND PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE FINORGA SAS (FR) 2008-11-05 — — EP disclosed
WO-2007063523-A1 INTERMEDIATES AND PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE FINORGA SAS (FR) 2007-06-07 — — 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 (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-20110040115-A1 INTERMEDIATES AND PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE DHPS, APOBEC3A, DDC MEN1 4490/4885KMT2A 4560/4885ESR1 4779/4885

“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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