SCHEMBL29476708

SCHEMBL29476708

COc1ccc2ccc(OC3=CC=CN4CCS(=O)(=O)N=C34)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
RAB9A P51151 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GFER P55789 1/20 0.38
PTPN1 P18031 1/20 0.36
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP1A2 P05177 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL625668 1.00 APOBEC3A (0.42) APOBEC3AAPOBEC3GRAB9AL3MBTL1GFER
SCHEMBL624161 0.84 RAB9A (0.36) APOBEC3AAPOBEC3GRAB9AL3MBTL1GFER
SCHEMBL29476564 0.84 RAB9A (0.36) APOBEC3AAPOBEC3GRAB9AL3MBTL1GFER
SCHEMBL624422 0.81 APOBEC3A (0.42) APOBEC3AAPOBEC3GRAB9AL3MBTL1GFER
SCHEMBL623501 0.81 RAB9A (0.47) APOBEC3AAPOBEC3GRAB9AL3MBTL1GFER
SCHEMBL869444 0.79 SMN1; SMN2 (0.39) APOBEC3AAPOBEC3GRAB9AL3MBTL1GFER
SCHEMBL871122 0.79 RAB9A (0.36) APOBEC3AAPOBEC3GRAB9AL3MBTL1GFER
SCHEMBL869597 0.77 RAB9A (0.39) APOBEC3AAPOBEC3GRAB9AL3MBTL1GFER
SCHEMBL626428 0.76 APOBEC3A (0.42) APOBEC3AAPOBEC3GRAB9AL3MBTL1GFER
SCHEMBL869829 0.76 RAB9A (0.35) APOBEC3AAPOBEC3GRAB9AL3MBTL1GFER

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.