SCHEMBL23196645

SCHEMBL23196645

Cc1ccc(-n2ccnc2[S+]([O-])CC(=O)c2ccc(O)c(O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALPG P10696 16/20 0.47
▸ ALPL P05186 7/20 0.47
▸ PLAA Q9Y263 6/20 0.47
▸ ALPI P09923 3/20 0.47
▸ GFER P55789 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CDC25A P30304 3/20 0.39
▸ CDC25B P30305 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL26320546 0.93 ALDH1A1 (0.40) ALPGALPLPLAAALPIGFER
SCHEMBL23196644 0.83 ALPG (0.47) ALPGALPLPLAAALPIPOLB
SCHEMBL23196648 0.76 ALDH1A1 (0.71) ALPGALPLPLAAALPIALDH1A1
SCHEMBL26320539 0.75 ALPG (0.40) ALPGALPLPLAAALDH1A1POLB
SCHEMBL23196646 0.75 ALPG (0.48) ALPGALPLPLAAALPIGFER
SCHEMBL9167178 0.68 HTR1A (0.47) —
SCHEMBL26320500 0.68 ALDH1A1 (0.70) ALPGALPLALDH1A1POLBCDC25A
SCHEMBL26320545 0.67 ALDH1A1 (0.42) ALPGALPLPLAAALPIGFER
SCHEMBL23196647 0.65 GAA (0.67) ALPGALPLPLAAALPIALDH1A1
SCHEMBL26320872 0.64 CA12 (0.47) ALPGALPLPLAAALPIPOLB

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-20230293499-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO US GOV VETERANS AFFAIRS (US) 2023-09-21 — — US disclosed
US-20230293499-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO US GOV VETERANS AFFAIRS (US) 2023-09-21 — — US disclosed
US-20210106567-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO US GOV VETERANS AFFAIRS (US) 2021-04-15 — — US disclosed
WO-2021067572-A2 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2021-04-08 — — 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 (2 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-20210106567-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO NFKBIA, NCBP1, NFKB1 ALPG 4545/4885ALPL 4374/4885PLAA 1855/4885
US-20230293499-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO NFKBIA, NCBP1, NFKB1 ALPG 4545/4885ALPL 4374/4885PLAA 1855/4885

“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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