SCHEMBL24076449

SCHEMBL24076449

COC(=O)c1ccc(C2(F)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 1/20 0.48
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
RAB9A P51151 4/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 3/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL31385825 0.80 CA1 (0.40) CA1CA2CA12CA7CA9
SCHEMBL25330988 0.80 PKM (0.47) CA1CA2CA12CA7CA9
SCHEMBL15956007 0.79 CA1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL17869073 0.79 CA1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL871865 0.78 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL21036244 0.77 CA1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL21874049 0.77 TSHR (0.44) CA1CA2CA12CA7CA9
SCHEMBL5080982 0.77 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL28993944 0.77 CA1 (0.80) CA1CA2CA12CA7CA9
SCHEMBL23600 0.77 CA1 (0.80) CA1CA2CA12CA7CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
EP-4157823-A1 COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-04-05 EP disclosed
CN-115667225-A Compound (I) 詹森药业有限公司 2023-01-31 CN disclosed
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 WO 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B CA1 4057/4885CA2 2830/4885CA12 4653/4885

“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.