SCHEMBL21882880

SCHEMBL21882880

COC(=O)[C@H](CC1CCCC1)c1ccc(S(C)(=O)=O)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.62
GCK P35557 5/20 0.51
SLC6A3 Q01959 8/20 0.46
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL2646278 1.00 KCNH2 (0.62) KCNH2GCKSLC6A3SLC6A2SLC6A4
SCHEMBL2642151 0.90 GCK (0.57) KCNH2GCKSLC6A3SLC6A2SLC6A4
SCHEMBL2642197 0.90 KCNH2 (0.52) KCNH2GCKSLC6A3
SCHEMBL2645933 0.90 KCNH2 (0.59) KCNH2GCKSLC6A3SLC6A2SLC6A4
SCHEMBL2648390 0.90 KCNH2 (0.50) KCNH2GCKSLC6A3
SCHEMBL2642433 0.89 KCNH2 (0.51) KCNH2GCKSLC6A3SLC6A2SLC6A4
SCHEMBL1861422 0.88 KCNH2 (0.49) KCNH2GCKSLC6A3SLC6A2SLC6A4
SCHEMBL1445381 0.87 KCNH2 (0.63) KCNH2GCKSLC6A3
SCHEMBL1171463 0.87 KCNH2 (0.63) KCNH2GCK
SCHEMBL2668907 0.87 KCNH2 (0.63) KCNH2GCKSLC6A3SLC6A2SLC6A4

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-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-30 US disclosed
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2020-03-19 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 (2 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-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules PAH, DBH, AHR KCNH2 814/4885GCK 2811/4885SLC6A3 290/4885
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES PAH, DBH, AHR KCNH2 814/4885GCK 2811/4885SLC6A3 290/4885

“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.