SCHEMBL25929030

SCHEMBL25929030

Bc1ccc(Cl)c(Cl)c1S

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2A6 P11509 1/20 0.31
AHR P35869 1/20 0.30

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
SCHEMBL10778251 0.77 CYP3A4 (0.41) CYP3A4MAPK1CYP2A6AHR
SCHEMBL30435783 0.72 CYP3A4 (0.38) CYP3A4MAPK1CYP2A6AHR
SCHEMBL4357969 0.72 CYP3A4 (0.38) CYP3A4MAPK1CYP2A6AHR
SCHEMBL30354095 0.72 CYP3A4 (0.38) CYP3A4MAPK1CYP2A6AHR
SCHEMBL2159908 0.66 IDO1 (0.39) CYP3A4MAPK1CYP2A6AHR
SCHEMBL28685336 0.66 IDO1 (0.39) CYP3A4MAPK1CYP2A6AHR
SCHEMBL29368277 0.65 CYP3A4 (0.62) CYP3A4MAPK1CYP2A6AHR
SCHEMBL348089 0.65 CYP3A4 (0.62) CYP3A4MAPK1CYP2A6AHR
SCHEMBL16291614 0.64 CYP2A6 (0.37) CYP3A4MAPK1CYP2A6AHR
SCHEMBL1950280 0.63 CYP3A4 (0.46) CYP3A4MAPK1CYP2A6AHR

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-20230242551-A1 ISOTOPE-SUBSTITUTED SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2023-08-03 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-20230242551-A1 ISOTOPE-SUBSTITUTED SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF SLCO1B1, SLCO1B3, SLCO2B1 CYP3A4 35/4885MAPK1 2159/4885CYP2A6 136/4885

“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.