SCHEMBL26794059

SCHEMBL26794059

C=C(O)CCCCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.59
▸ MAPT P10636 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ MAP3K5 Q99683 2/20 0.47
▸ CISD1 Q9NZ45 2/20 0.46
▸ MAOA P21397 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ BLM P54132 2/20 0.46
▸ DNMT1 P26358 2/20 0.46
▸ PTPN1 P18031 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ MCL1 Q07820 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PSMD14 O00487 1/20 0.46
▸ MMP2 P08253 1/20 0.46

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
SCHEMBL13236136 0.91 FFAR1 (0.71) FFAR1MAPTKDM4ELMNATHRB
SCHEMBL12417242 0.87 FFAR1 (0.64) FFAR1MAPTKDM4ELMNATHRB
SCHEMBL26661588 0.85 FFAR1 (0.52) FFAR1MAPTKDM4ELMNATHRB
SCHEMBL26661589 0.85 FFAR1 (0.52) FFAR1MAPTKDM4ELMNATHRB
SCHEMBL29727851 0.85 FFAR1 (0.52) FFAR1MAPTKDM4ELMNATHRB
SCHEMBL26794062 0.85 FFAR1 (0.52) FFAR1MAPTKDM4ELMNATHRB
SCHEMBL9920145 0.84 FFAR1 (0.53) FFAR1MAPTKDM4ELMNATHRB
SCHEMBL863491 0.83 FFAR1 (0.48) FFAR1MAPTKDM4ELMNATHRB
SCHEMBL24518535 0.81 FFAR1 (0.56) FFAR1MAPTKDM4ELMNATHRB
SCHEMBL29727858 0.81 FFAR1 (0.56) FFAR1MAPTKDM4ELMNATHRB

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-11820764-B2 Compound modulating GSK-3 activity NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2023-11-21 — — 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-11820764-B2 Compound modulating GSK-3 activity GSK3B, GSK3A, GSKIP FFAR1 3450/4885MAPT 655/4885KDM4E 895/4885

“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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