SCHEMBL24938403

SCHEMBL24938403

CC(C)C(=O)C(F)C1CCC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MMP2 P08253 2/20 0.32
CA9 Q16790 2/20 0.32
EPHX1 P07099 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DPP4 P27487 2/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
DPP7 Q9UHL4 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
SCHEMBL9249227 0.74 CA12 (0.33) CA12CA1CA2MMP2CA9
SCHEMBL26870655 0.73
SCHEMBL13934060 0.73 ALDH1A1 (0.35) CA12CA1CA2MMP2CA9
SCHEMBL8462218 0.71 EPHX1 (0.39) CA12CA1CA2MMP2CA9
SCHEMBL28976541 0.71
SCHEMBL27744001 0.70 EPHX1 (0.37) CA12CA1CA2MMP2CA9
SCHEMBL9252192 0.70 EPHX1 (0.38) CA12CA1CA2MMP2CA9
SCHEMBL8040258 0.70 EPHX1 (0.54) CA12CA1CA2MMP2CA9
SCHEMBL24311892 0.70 MMP2 (0.34) CA12CA1CA2MMP2CA9
SCHEMBL26870654 0.68 L3MBTL1 (0.42) ALDH1A1

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-20230013585-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS GILEAD SCIENCES, INC. 2023-01-19 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-20230013585-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS CDK6, HIPK1, DCK CA12 4770/4885CA1 4829/4885CA2 4784/4885

“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.