SCHEMBL3466913

SCHEMBL3466913

O=C(CSc1nc2ccccc2s1)c1ccc(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 5/20 1.00
ALPL P05186 4/20 1.00
GCGR P47871 2/20 1.00
POLB P06746 6/20 0.67
MAPT P10636 5/20 0.67
HPGD P15428 5/20 0.67
RECQL P46063 4/20 0.67
APEX1 P27695 3/20 0.67
KDM4E B2RXH2 3/20 0.67
GAA P10253 3/20 0.67
LMNA P02545 1/20 0.67
HTT P42858 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
NPC1 O15118 3/20 0.65
ALDH1A1 P00352 4/20 0.58
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL26320568 0.89 ALPL (0.80) ALPGALPLGCGRPOLBMAPT
SCHEMBL13856646 0.82 MAPT (1.00) ALPGALPLGCGRPOLBMAPT
Bromide SCHEMBL3871016 0.81 ALPL (0.68) ALPGALPLGCGRPOLBMAPT
SCHEMBL16210999 0.79 MAPT (0.69) ALPGALPLGCGRPOLBMAPT
SCHEMBL29213216 0.78 ALDH1A1 (0.70) ALPGALPLGCGRPOLBMAPT
Benzene SCHEMBL28322799 0.77 POLB (0.79) ALPGALPLGCGRPOLBMAPT
SCHEMBL1286369 0.77 POLB (0.79) ALPGALPLGCGRPOLBMAPT
SCHEMBL23196643 0.76 ALPG (0.61) ALPGALPLGCGRPOLBMAPT
SCHEMBL5401249 0.76 POLB (0.77) ALPGALPLGCGRPOLBMAPT
SCHEMBL2261407 0.76 POLB (0.77) ALPGALPLGCGRPOLBMAPT

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 5 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
WO-2010074746-A1 METHODS OF USE FOR OPSIN BINDING LIGANDS BIKAM PHARMACEUTICALS, INC. (US) 2010-07-01 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.