SCHEMBL21189786

SCHEMBL21189786

CS(C)(C)C#Cc1ccc(F)cn1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.50
▸ APLNR P35414 1/20 0.32
▸ OGA O60502 1/20 0.32
▸ ACACB O00763 1/20 0.30

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
SCHEMBL17039215 0.78 GRM5 (0.54) GRM5APLNROGAACACB
SCHEMBL25066942 0.77 PTK2 (0.33) —
SCHEMBL25067054 0.77 KMT2A (0.38) —
SCHEMBL3348341 0.74 GRM5 (0.51) GRM5OGAACACB
SCHEMBL22031532 0.74 GRM5 (0.50) GRM5OGA
SCHEMBL17036514 0.73 GRM5 (0.50) GRM5OGAACACB
SCHEMBL4788868 0.73 — —
SCHEMBL14790425 0.72 GRM5 (0.34) GRM5
SCHEMBL739722 0.70 GRM5 (0.47) GRM5
SCHEMBL21536602 0.69 GRM5 (0.46) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988502-B2 Alpha-D-galactoside inhibitors of galectins GALECTO BIOTECH AB (DK) 2021-04-27 — — US disclosed
US-20190225638-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2019-07-25 — — 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 (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-20190225638-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS LGALS1, LGALS2, LGALS3 GRM5 1669/4885APLNR 659/4885OGA 297/4885
US-10988502-B2 Alpha-D-galactoside inhibitors of galectins LGALS1, LGALS2, LGALS3 GRM5 1669/4885APLNR 659/4885OGA 297/4885

“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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