SCHEMBL24518535

SCHEMBL24518535

O=C(O)CCCCCN1C(=O)S/C(=C\c2c[nH]c3ccccc23)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.56
▸ MMP1 P03956 1/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ MMP14 P50281 1/20 0.50
▸ LMNA P02545 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MITF O75030 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ XBP1 P17861 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ AKR1B1 P15121 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ CCNT1 O60563 1/20 0.45
▸ CDK9 P50750 1/20 0.45

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
SCHEMBL29727858 1.00 FFAR1 (0.56) FFAR1MMP1MMP2MMP13MMP14
SCHEMBL13780771 0.96 MMP1 (0.54) FFAR1MMP1MMP2MMP13MMP14
SCHEMBL13236136 0.90 FFAR1 (0.71) FFAR1MMP2LMNAKDM4EMAPT
SCHEMBL12417242 0.86 FFAR1 (0.64) FFAR1LMNANPC1HTTRAB9A
SCHEMBL26794059 0.81 FFAR1 (0.59) FFAR1MMP2LMNAKDM4EMAPT
SCHEMBL29214808 0.80 MMP1 (0.67) FFAR1MMP1MMP2MMP13MMP14
SCHEMBL29214806 0.80 MMP1 (0.67) FFAR1MMP1MMP2MMP13MMP14
SCHEMBL26794068 0.78 FFAR1 (0.46) FFAR1LMNANPC1HPGDRAB9A
SCHEMBL29727849 0.78 FFAR1 (0.46) FFAR1LMNANPC1HPGDRAB9A
SCHEMBL26794066 0.77 FFAR1 (0.58) FFAR1LMNAKDM4EMAPTTHRB

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 3 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-20220185805-A1 NOVEL COMPOUND MODULATING GSK-3 ACTIVITY NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2022-06-16 — — 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-20220185805-A1 NOVEL COMPOUND MODULATING GSK-3 ACTIVITY GSK3B, GSK3A, GSKIP FFAR1 3524/4885MMP1 2929/4885MMP2 4186/4885
US-11820764-B2 Compound modulating GSK-3 activity GSK3B, GSK3A, GSKIP FFAR1 3450/4885MMP1 2835/4885MMP2 4110/4885

“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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