SCHEMBL23925909

SCHEMBL23925909

CCc1c(C)ccc(CC(C)C)c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
CXCR2 P25025 2/20 0.32
CXCR1 P25024 1/20 0.32
GAA P10253 1/20 0.31
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 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
SCHEMBL5640187 0.76 KDM4E (0.34) CXCR2CXCR1
SCHEMBL7569500 0.70 GABRA1 (0.37) HTR1D
SCHEMBL5559026 0.69 ATM (0.43) ATMGAAHTR1D
SCHEMBL29414133 0.69 ATM (0.43) ATMGAAHTR1D
SCHEMBL7571254 0.69 GABRA1 (0.42) HTR1AHTR1DHTR1B
SCHEMBL5953041 0.69 ELANE (0.32) HTR1D
SCHEMBL29863304 0.67 CXCR2 (0.35) ATMCXCR2CXCR1HTR1AHTR1D
SCHEMBL23250280 0.67 CXCR2 (0.35) ATMCXCR2CXCR1HTR1AHTR1D
SCHEMBL4535172 0.66 CXCR2 (0.48) CXCR2CXCR1
SCHEMBL25949649 0.66 DRD2 (0.34) HTR1D

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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO 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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS CYP2B6, TYR, CYP2D6 ATM 3953/4885CXCR2 420/4885CXCR1 1816/4885

“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.