SCHEMBL24345745

SCHEMBL24345745

O=Cc1cnc(C2CCOCC2)o1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.35
CA1 P00915 8/20 0.35
CA2 P00918 8/20 0.35
CA9 Q16790 8/20 0.35
PDE1B Q01064 1/20 0.31
FAAH O00519 3/20 0.31
DAO P14920 1/20 0.31
CYP2C9 P11712 1/20 0.30
HDAC4 P56524 1/20 0.30
MAPK1 P28482 2/20 0.30
CYP11B2 P19099 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
SCHEMBL19886124 0.89 CA12 (0.41) CA12CA1CA2CA9CYP2C9
SCHEMBL32669116 0.77 NOTUM (0.40) MAPK1
SCHEMBL19556559 0.71 POLB (0.35) CA12CA1CA2CA9PDE1B
Lithium SCHEMBL31704760 0.70 POLB (0.34) CA12CA1CA2CA9PDE1B
SCHEMBL24323731 0.68 F2R (0.38) MAPK1
SCHEMBL13638746 0.66 DAO (0.31) DAO
SCHEMBL32669097 0.65 CA12 (0.39) CA12CA1CA2CA9CYP2C9
SCHEMBL14334386 0.64 DAO (0.33) PDE1BDAO
SCHEMBL14334355 0.64 DAO (0.40) PDE1BDAO
SCHEMBL31705029 0.64 PDE4B (0.43) HDAC4MAPK1

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-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-07 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-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, APOB CA12 4329/4885CA1 4795/4885CA2 4830/4885

“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.