SCHEMBL20063790

SCHEMBL20063790

CS(=O)(=O)O[C@H]1Cc2ccccc2C[C@@H]1OS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ IDO1 P14902 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ PSEN1 P49768 5/20 0.36
▸ PSEN2 P49810 5/20 0.36
▸ APH1B Q8WW43 5/20 0.36
▸ NCSTN Q92542 5/20 0.36
▸ APH1A Q96BI3 5/20 0.36
▸ PSENEN Q9NZ42 5/20 0.36
▸ ACHE P22303 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL20095992 1.00 CA1 (0.41) CA1CA2IDO1ALDH1A1PSEN1
SCHEMBL1415538 0.83 IDO1 (0.48) CA1CA2IDO1ALDH1A1PSEN1
SCHEMBL5375159 0.82 HDAC3 (0.38) CA1CA2
SCHEMBL2736641 0.82 HDAC3 (0.38) CA1CA2
SCHEMBL13850672 0.82 HDAC3 (0.38) CA1CA2
SCHEMBL2736644 0.82 HDAC3 (0.38) CA1CA2
SCHEMBL8068154 0.79 NAE1 (0.40) —
SCHEMBL8057823 0.79 NAE1 (0.40) —
SCHEMBL18995717 0.78 PDPK1 (0.39) CA1CA2ALDH1A1
SCHEMBL5837425 0.77 CA1 (0.35) CA1CA2ALDH1A1PSEN1PSEN2

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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 — — US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 — — US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 — — US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 — — 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 (3 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 CA1 1419/4885CA2 691/4885IDO1 2327/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 CA1 1419/4885CA2 691/4885IDO1 2327/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 CA1 1455/4885CA2 702/4885IDO1 2338/4885

“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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