SCHEMBL31053115

SCHEMBL31053115

COc1ccc2ccsc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP2A6 P11509 1/20 0.48
CA2 P00918 4/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDK1 Q15118 1/20 0.43
BACE1 P56817 1/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
PSMB8 P28062 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL155194 1.00 CYP1A2 (0.48) CYP1A2CYP2A6CA2CYP3A4CYP2C19
SCHEMBL28744947 0.94 CA2 (0.45) CYP1A2CYP2A6CA2CYP3A4CYP2C19
SCHEMBL154909 0.83 BACE1 (0.52) CYP1A2CYP2A6CA2BACE1HSD17B1
SCHEMBL14609319 0.79 MRGPRX4 (0.42) CYP2A6CA2MRGPRX4SLC6A2SLC6A4
SCHEMBL28744573 0.79 CA2 (0.50) CYP1A2CYP2A6CA2BACE1MRGPRX4
SCHEMBL827314 0.79 PARP10 (0.44) CA2MRGPRX4POLBKMT2ACA12
SCHEMBL827195 0.79 MAPT (0.50) CYP1A2CA2CYP3A4CYP2C19MRGPRX4
SCHEMBL3794893 0.79 MRGPRX4 (0.40) CYP1A2CYP2A6CA2CYP3A4MRGPRX4
SCHEMBL15962630 0.76 CYP1A2 (0.46) CYP1A2CYP2A6CA2BACE1HSD17B1
SCHEMBL15495650 0.76 CA2 (0.52) CA2CYP3A4MRGPRX4POLBCA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250108123-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2025-04-03 US disclosed
CN-119161384-A Estrogen receptor modulating compounds 雷迪厄斯制药公司 2024-12-20 CN disclosed
CN-116813603-B Selective estrogen receptor alpha degradation compound and preparation method and application thereof 成都市第三人民医院 2024-10-22 CN disclosed
CN-112105607-B Estrogen receptor modulating compounds 雷迪厄斯制药公司 2024-08-27 CN 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-20250108123-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF STING1, IRF3, CGAS CYP1A2 3438/4885CYP2A6 4319/4885CA2 4028/4885

“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.