SCHEMBL10036042

SCHEMBL10036042

CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C\C=C\c1c(C)nn(-c2ccc(S(=O)(=O)O)cc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ KAT8 Q9H7Z6 2/20 0.50
▸ MAPT P10636 10/20 0.48
▸ KMT2A Q03164 10/20 0.48
▸ ALDH1A1 P00352 9/20 0.48
▸ MEN1 O00255 8/20 0.48
▸ MAPK1 P28482 7/20 0.48
▸ L3MBTL1 Q9Y468 7/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ POLB P06746 7/20 0.47
▸ HTT P42858 5/20 0.47
▸ TDP1 Q9NUW8 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PKM P14618 2/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.40

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
SCHEMBL6680116 1.00 CA1 (0.53) CA1CA2CA9KAT8MAPT
SCHEMBL14197585 1.00 CA1 (0.53) CA1CA2CA9KAT8MAPT
SCHEMBL6679978 1.00 CA1 (0.53) CA1CA2CA9KAT8MAPT
SCHEMBL13763582 0.96 KAT8 (0.48) CA1CA2CA9KAT8MAPT
SCHEMBL4825033 0.96 KAT8 (0.48) CA1CA2CA9KAT8MAPT
SCHEMBL6680125 0.96 KAT8 (0.48) CA1CA2CA9KAT8MAPT
SCHEMBL3188484 0.96 KAT8 (0.48) CA1CA2CA9KAT8MAPT
SCHEMBL6678634 0.95 KAT8 (0.48) CA1CA2CA9KAT8MAPT
SCHEMBL6678627 0.95 KAT8 (0.48) CA1CA2CA9KAT8MAPT
SCHEMBL6679975 0.91 CA1 (0.52) CA1CA2CA9KAT8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035187-A1 ANTI-NEURODEGENERATIVE DISEASE AGENT KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2012-02-09 — — US disclosed
US-20120035187-A1 ANTI-NEURODEGENERATIVE DISEASE AGENT KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2012-02-09 — — US 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-20120035187-A1 ANTI-NEURODEGENERATIVE DISEASE AGENT SNCA, PSEN1, CDR2 CA1 1468/4885CA2 2334/4885CA9 4280/4885

“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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