SCHEMBL24518366

SCHEMBL24518366

O=C(O)CCCCCN1C(=S)S/C(=C\c2c[nH]c3ccccc23)C1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.43
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ ADAM17 P78536 1/20 0.37
▸ HTR4 Q13639 2/20 0.36
▸ FABP4 P15090 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35

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 0.78 FFAR1 (0.71) FFAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL12417242 0.73 FFAR1 (0.64) FFAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL29727858 0.73 FFAR1 (0.56) FFAR1CCNT1CDK9MAPTSMN1; SMN2
SCHEMBL24518535 0.73 FFAR1 (0.56) FFAR1CCNT1CDK9MAPTSMN1; SMN2
SCHEMBL26794068 0.72 FFAR1 (0.46) FFAR1CCNT1CDK9MAPTMEN1
SCHEMBL24518536 0.72 CCNT1 (0.42) CCNT1CDK9ADAM17HTR4MAPT
SCHEMBL29727849 0.72 FFAR1 (0.46) FFAR1CCNT1CDK9MAPTMEN1
SCHEMBL18545604 0.72 NPC1 (0.42) FFAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL24518355 0.70 MAPT (0.39) FFAR1MAPTMEN1KMT2AMAP3K5
SCHEMBL26794059 0.69 FFAR1 (0.59) FFAR1MAPTMEN1KMT2AMAP3K5

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-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 (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-20220185805-A1 NOVEL COMPOUND MODULATING GSK-3 ACTIVITY GSK3B, GSK3A, GSKIP FFAR1 3524/4885CCNT1 460/4885CDK9 137/4885

“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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