SCHEMBL24436889

SCHEMBL24436889

COC(=O)c1cc(O)c(F)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA7 P43166 5/20 0.48
CA9 Q16790 5/20 0.48
CA14 Q9ULX7 5/20 0.48
PDK2 Q15119 1/20 0.48
PDK4 Q16654 1/20 0.48
GAA P10253 4/20 0.48
KDM4E B2RXH2 4/20 0.48
LMNA P02545 2/20 0.48
XDH P47989 2/20 0.48
POLB P06746 2/20 0.48
NFKB1 P19838 1/20 0.48
GFER P55789 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
FUT7 Q11130 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL23906095 0.92 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL25342477 0.90 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL22222148 0.90 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL31024702 0.90 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL410165 0.85 ALPL (0.45) CA12CA1CA2CA7CA9
SCHEMBL522786 0.85 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL17185155 0.85 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL30344115 0.85 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL24338831 0.83 GAA (0.50) CA12CA1CA2CA7CA9
SCHEMBL20772841 0.83 CCR6 (0.46) CA12CA1CA2CA7CA9

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-20260109711-A1 MACROCYCLIC SULFONAMIDE MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2026-04-23 US disclosed
US-20220157484-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-19 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 (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-20260109711-A1 MACROCYCLIC SULFONAMIDE MODULATORS HCRTR2, HCRTR1, CNR1 CA12 591/4885CA1 674/4885CA2 458/4885

“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.