SCHEMBL25899688

SCHEMBL25899688

Cc1cc(C(N)=O)n(S(=O)(=O)C(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
PARP1 P09874 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
SCHEMBL21766165 0.78 RAB9A (0.44) ALDH1A1
SCHEMBL30068391 0.70 HTR3A (0.32)
SCHEMBL10002537 0.69 CDK8 (0.51) ALDH1A1CCNCCDK8PARP1
SCHEMBL4051746 0.69 PARP1 (0.36) CCNCCDK8PARP1
SCHEMBL26062137 0.69 PARP1 (0.36) CCNCCDK8PARP1
SCHEMBL22289900 0.64 NR4A1 (0.36) RAPGEF4ALDH1A1MAPT
SCHEMBL24331941 0.61 MAPT (0.41) ALDH1A1MAPT
SCHEMBL22289981 0.61 NOTUM (0.34) ALDH1A1
SCHEMBL17868541 0.61 CCNC (0.31) CCNCCDK8PARP1
SCHEMBL22289925 0.60 TTR (0.35) ALDH1A1MAPT

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-20230190768-A1 COMBINATION COMPRISING TRICYCLE COMPOUND AND USE THEREOF IN PREPARATION OF MEDICAMENT FOR TREATING HBV FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) 2023-06-22 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 (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-20230190768-A1 COMBINATION COMPRISING TRICYCLE COMPOUND AND USE THEREOF IN PREPARATION OF MEDICAMENT FOR TREATING HBV HAVCR2, TYMP, HLA-B RAPGEF4 4557/4885ALDH1A1 1688/4885MAPT 2883/4885

“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.