SCHEMBL30009051

SCHEMBL30009051

O=S(=O)(CC1CCOCC1)N1CC=CCC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PIK3CA P42336 2/20 0.32
AKT1 P31749 1/20 0.32
MTOR P42345 1/20 0.32
AKR1C3 P42330 1/20 0.31
PIK3R1 P27986 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 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
SCHEMBL13993576 0.72 ALDH1A1 (0.43) KCNH2
SCHEMBL14498365 0.72 AKR1C3 (0.38) AKR1C3
SCHEMBL15225979 0.68 TSHR (0.46) CNR1CNR2PIK3CAAKT1
SCHEMBL21145793 0.64 KCNH2 (0.33) KCNH2PIK3CAPIK3R1
SCHEMBL24477714 0.64 KDM4E (0.41) PIK3CAAKT1MTOR
Bicarbonate SCHEMBL15225846 0.64 TSHR (0.45)
SCHEMBL2325561 0.63 CA1 (0.40) AKR1C3
SCHEMBL18286841 0.62 AKR1C3 (0.33) AKR1C3
SCHEMBL3352759 0.62 INPP5A (0.47) KCNH2CNR1CNR2PIK3CAAKT1
SCHEMBL4742018 0.62 AKT1 (0.33) KCNH2PIK3CAAKT1MTOR

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-11524968-B2 Heterocyclic compound as a protein kinase inhibitor HK INNO.N CORPORATION (KR) 2022-12-13 US claimed

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-11524968-B2 Heterocyclic compound as a protein kinase inhibitor MAP3K20, MAP3K15, MAP3K1 KCNH2 1893/4885CNR1 2338/4885CNR2 2219/4885

“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.