SCHEMBL23196655

SCHEMBL23196655

O=C(C[S+]([O-])c1nc2ccccc2s1)c1ccc(O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPG P10696 12/20 0.58
▸ ALPL P05186 11/20 0.58
▸ GCGR P47871 2/20 0.58
▸ TOP1 P11387 2/20 0.52
▸ HSD17B1 P14061 1/20 0.44
▸ HSD17B2 P37059 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ POLB P06746 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ RECQL P46063 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ APEX1 P27695 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PLAA Q9Y263 3/20 0.42
▸ ALPP P05187 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALPI P09923 1/20 0.41

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
SCHEMBL26320537 0.90 ALPL (0.47) ALPGALPLGCGRTOP1HSD17B1
SCHEMBL11429532 0.78 SMN1; SMN2 (0.48) MAPTPOLBGAARECQLHPGD
SCHEMBL23196654 0.77 SMN1; SMN2 (0.44) ALPGALPLGCGRKDM4EMAPT
SCHEMBL25759375 0.77 MAPT (0.50) KDM4EMAPTPOLBGAARECQL
SCHEMBL3466913 0.73 ALPG (1.00) ALPGALPLGCGRTOP1KDM4E
SCHEMBL11499868 0.72 SMN1; SMN2 (0.39) MAPTPOLBRECQLHPGDSMN1; SMN2
SCHEMBL23196653 0.72 ALPL (0.59) ALPGALPLGCGRTOP1HSD17B1
SCHEMBL20875226 0.71 PAX8 (0.44) KDM4EMAPTPOLBGAAHPGD
SCHEMBL19403461 0.71 PAX8 (0.44) KDM4EMAPTPOLBGAAHPGD
SCHEMBL26320872 0.70 CA12 (0.47) ALPGALPLTOP1KDM4EMAPT

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 3 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-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 4374/4885GCGR 4625/4885
US-20230293499-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO NFKBIA, NCBP1, NFKB1 ALPG 4545/4885ALPL 4374/4885GCGR 4625/4885

“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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