SCHEMBL24518536

SCHEMBL24518536

O=C(O)CCCCCN1C(=S)SN(Cc2c[nH]c3ccccc23)C1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CYP2C19 P33261 1/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ POLA1 P09884 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ UBE2N P61088 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ BCHE P06276 1/20 0.38

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
SCHEMBL29727843 0.73 MAPT (0.44) CCNT1CDK9CYP2C19MTNR1APOLB
SCHEMBL24518537 0.73 MAPT (0.44) CCNT1CDK9CYP2C19MTNR1APOLB
SCHEMBL26794064 0.72 MAPT (0.45) CCNT1CDK9POLBLMNAMAPT
SCHEMBL29727842 0.72 MAPT (0.45) CCNT1CDK9POLBLMNAMAPT
SCHEMBL24518366 0.72 FFAR1 (0.43) CCNT1CDK9LMNAMAPTKDM4E
SCHEMBL1305574 0.71 MEN1 (0.60) CYP2C19MTNR1APOLBMAPTKDM4E
SCHEMBL27531911 0.71 MEN1 (0.60) CYP2C19MTNR1APOLBMAPTKDM4E
SCHEMBL2379006 0.69 MEN1 (0.62) CYP2C19POLBMAPTKDM4ERECQL
SCHEMBL29363142 0.68 MEN1 (0.68) CYP2C19POLBMAPTKDM4ERECQL
SCHEMBL35884 0.68 MEN1 (0.68) CYP2C19POLBMAPTKDM4ERECQL

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-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 CCNT1 460/4885CDK9 137/4885CYP2C19 1572/4885
US-11820764-B2 Compound modulating GSK-3 activity GSK3B, GSK3A, GSKIP CCNT1 409/4885CDK9 102/4885CYP2C19 1677/4885

“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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