SCHEMBL25826568

SCHEMBL25826568

CO[C@@H]1CCCC[C@@H]1COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
ENPP3 O14638 2/20 0.39
ENPP1 P22413 2/20 0.39
ENPP2 Q13822 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACHE P22303 1/20 0.37
POLB P06746 2/20 0.36
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 1/20 0.36
STAT3 P40763 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL4569124 0.81 ENPP3 (0.42) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL2208059 0.81 ENPP3 (0.42) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL4569141 0.81 ENPP3 (0.42) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL18706862 0.81 ENPP3 (0.42) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL5222510 0.79 CYP2D6 (0.55) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL5222514 0.79 CYP2D6 (0.55) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL12810140 0.79 CYP2D6 (0.55) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL2632637 0.79 CYP2D6 (0.55) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL5222520 0.79 CYP2D6 (0.55) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL79261 0.79 ALDH1A1 (0.46) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR

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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP2D6 3632/4885CYP1A2 2835/4885ALDH1A1 133/4885

“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.