SCHEMBL1677338

SCHEMBL1677338

CCC(C(=O)O)C1CN=C(c2cc3cc(Oc4ccc(S(C)(=O)=O)cn4)cc(OC)c3[nH]2)S1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
P2RX3 P56373 1/20 0.31

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
SCHEMBL1078018 0.93 GCK (0.32) ALDH1A1HTTNPSR1P2RX3
SCHEMBL1677249 0.92 GCK (0.33)
SCHEMBL1677323 0.90 GCK (0.34)
SCHEMBL564688 0.89 GCK (0.34)
SCHEMBL1677231 0.86 GCK (0.36)
SCHEMBL1678423 0.85 GCK (0.31) ALDH1A1HTTNPSR1
SCHEMBL1677352 0.83 GCK (0.38)
SCHEMBL1679344 0.83
SCHEMBL4441301 0.83 ALDH1A1 (0.31) ALDH1A1HTTNPSR1
SCHEMBL1077766 0.83 ALDH1A1 (0.31) ALDH1A1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 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-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF GCKR, GPR119, SLC5A1 ALDH1A1 305/4885HTT 2320/4885NPSR1 1992/4885

“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.