SCHEMBL25035284

SCHEMBL25035284

C=CC[C@H](F)COCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.47
TACR1 P25103 3/20 0.44
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
SLC1A1 P43005 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL29144225 1.00 CA1 (0.49) CA1CA2CA7CA9TDP1
SCHEMBL3518860 0.80 CA1 (0.53) CA1CA2CA7CA9TSHR
SCHEMBL3518858 0.80 CA1 (0.53) CA1CA2CA7CA9TSHR
SCHEMBL3522139 0.80 CA1 (0.53) CA1CA2CA7CA9TSHR
SCHEMBL7326064 0.79 CA1 (0.49) CA1CA2CA7CA9TDP1
SCHEMBL20280189 0.79 CA1 (0.49) CA1CA2CA7CA9TDP1
SCHEMBL1933560 0.79 CA1 (0.62) CA1CA2CA7CA9TDP1
SCHEMBL2989933 0.79 TACR1 (0.51) CA1CA2CA7CA9TDP1
SCHEMBL7294877 0.79 CA1 (0.62) CA1CA2CA7CA9TDP1
SCHEMBL1933558 0.79 CA1 (0.62) CA1CA2CA7CA9TDP1

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
CN-117425657-A Triazolo-pyrimidine analogs for the treatment of diseases associated with inhibition of Wonna syndrome RECzochralski enzyme (WRN) 诺华股份有限公司 2024-01-19 CN disclosed
US-20230046859-A1 Bicyclic Compounds and their Uses NOVARTIS PHARMA AG (CH) 2023-02-16 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-20230046859-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 CA1 2289/4885CA2 921/4885CA7 159/4885

“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.