SCHEMBL30701968

SCHEMBL30701968

CCOC(=O)/C=C/c1cncc(Br)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CCNC P24863 6/20 0.42
CDK8 P49336 6/20 0.42
CNKSR1 Q969H4 1/20 0.41
DPP4 P27487 2/20 0.40
TTR P02766 1/20 0.40
CDK19 Q9BWU1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.38
ESR1 P03372 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
MAOB P27338 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36

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
SCHEMBL5516137 0.87 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL5516140 0.87 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL30116095 0.86 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL20660551 0.86 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL20660549 0.86 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL20671161 0.83 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL3731005 0.81 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL3731010 0.81 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL17437263 0.79 CCNC (0.44) CCNCCDK8KDM4EMAPT
SCHEMBL17437264 0.79 CCNC (0.44) CCNCCDK8KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 US disclosed
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-04-11 US disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 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 (5 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CA12 609/4885CA1 2925/4885CA2 426/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE CA12 609/4885CA1 2925/4885CA2 426/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CA12 609/4885CA1 2925/4885CA2 426/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE CA12 609/4885CA1 2925/4885CA2 426/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CA12 609/4885CA1 2925/4885CA2 426/4885

“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.