SCHEMBL13236136

SCHEMBL13236136

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.71
▸ MAPT P10636 5/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ LMNA P02545 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ MAP3K5 Q99683 2/20 0.56
▸ POLB P06746 3/20 0.55
▸ CISD1 Q9NZ45 2/20 0.54
▸ MAOA P21397 1/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ DNMT1 P26358 2/20 0.54
▸ BLM P54132 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ PKM P14618 2/20 0.54
▸ MCL1 Q07820 2/20 0.54
▸ PTPN1 P18031 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ PSMD14 O00487 1/20 0.54
▸ MMP2 P08253 1/20 0.54

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
SCHEMBL12417242 0.96 FFAR1 (0.64) FFAR1MAPTKDM4ELMNATHRB
SCHEMBL26794059 0.91 FFAR1 (0.59) FFAR1MAPTKDM4ELMNATHRB
SCHEMBL24518535 0.90 FFAR1 (0.56) FFAR1MAPTKDM4ELMNATHRB
SCHEMBL29727858 0.90 FFAR1 (0.56) FFAR1MAPTKDM4ELMNATHRB
SCHEMBL9920145 0.87 FFAR1 (0.53) FFAR1MAPTKDM4ELMNATHRB
SCHEMBL26794066 0.87 FFAR1 (0.58) FFAR1MAPTKDM4ELMNATHRB
SCHEMBL13780771 0.86 MMP1 (0.54) FFAR1LMNAPOLBMMP2ALDH1A1
SCHEMBL1903792 0.86 MMP3 (0.55) MAPTKDM4EPOLBKMT2AMEN1
SCHEMBL1903795 0.86 MMP3 (0.55) MAPTKDM4EPOLBKMT2AMEN1
SCHEMBL1903789 0.86 MMP3 (0.55) MAPTKDM4EPOLBKMT2AMEN1

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 7 patents. 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
US-11820764-B2 Compound modulating GSK-3 activity NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2023-11-21 — — US disclosed
US-11820764-B2 Compound modulating GSK-3 activity NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2023-11-21 — — US disclosed
US-20220185805-A1 NOVEL COMPOUND MODULATING GSK-3 ACTIVITY NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2022-06-16 — — US disclosed
US-20220185805-A1 NOVEL COMPOUND MODULATING GSK-3 ACTIVITY NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2022-06-16 — — US disclosed
US-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates NATIONAL INSTITUTE OF IMMUNOLOGY. 2010-07-29 — — US disclosed
US-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates NATIONAL INSTITUTE OF IMMUNOLOGY. 2010-07-29 — — 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 (3 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-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates TTR, TPR, POT1 FFAR1 2539/4885MAPT 26/4885KDM4E 678/4885
US-20220185805-A1 NOVEL COMPOUND MODULATING GSK-3 ACTIVITY GSK3B, GSK3A, GSKIP FFAR1 3524/4885MAPT 700/4885KDM4E 778/4885
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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