SCHEMBL29476646

SCHEMBL29476646

CCCCOc1ccc(C2=CC=CN3CCS(=O)(=O)N=C23)cc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
RAB9A P51151 3/20 0.39
GFER P55789 1/20 0.39
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
S1PR1 P21453 3/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR4 O95977 1/20 0.34
S1PR5 Q9H228 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
S1PR2 O95136 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32

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
SCHEMBL869779 1.00 APOBEC3A (0.41) APOBEC3AAPOBEC3GRAB9AGFERCCNT1
SCHEMBL869670 0.95 APOBEC3A (0.41) APOBEC3AAPOBEC3GRAB9AGFERCCNT1
SCHEMBL623842 0.86 RAB9A (0.42) APOBEC3AAPOBEC3GRAB9AGFERL3MBTL1
SCHEMBL871903 0.83 RAB9A (0.41) APOBEC3AAPOBEC3GRAB9AGFERCCNT1
SCHEMBL870742 0.78 APOBEC3A (0.47) APOBEC3AAPOBEC3GRAB9AGFERL3MBTL1
SCHEMBL29476660 0.78 APOBEC3A (0.47) APOBEC3AAPOBEC3GRAB9AGFERL3MBTL1
SCHEMBL29476725 0.76 RAB9A (0.42) APOBEC3AAPOBEC3GRAB9AGFERL3MBTL1
SCHEMBL29476705 0.76 GRM4 (0.36) APOBEC3AAPOBEC3GRAB9AGFERL3MBTL1
SCHEMBL29476529 0.76 APOBEC3A (0.40) APOBEC3AAPOBEC3GRAB9AGFERL3MBTL1
SCHEMBL622729 0.76 APOBEC3A (0.40) APOBEC3AAPOBEC3GRAB9AGFERL3MBTL1

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-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-10-31 US disclosed
US-11279713-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-22 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-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A APOBEC3A 2706/4885APOBEC3G 2810/4885RAB9A 2581/4885
US-11279713-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A APOBEC3A 2706/4885APOBEC3G 2810/4885RAB9A 2581/4885

“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.