SCHEMBL24768908

SCHEMBL24768908

CCC(CC)(C(=O)OC)c1cncc(Cl)n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.32
CCR4 P51679 1/20 0.32
GRM5 P41594 1/20 0.31
CTSA P10619 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL29228053 0.82 ALOX5 (0.34) CDK2GRM5
SCHEMBL22924886 0.82 CSF1R (0.33) CDK2CCR4GRM5PDE4APDE4B
SCHEMBL22924868 0.80 CYP2C19 (0.35) CDK2GRM5PDE4APDE4BPDE4C
SCHEMBL30416548 0.80 CYP2C19 (0.35) CDK2GRM5PDE4APDE4BPDE4C
SCHEMBL21384637 0.78 GRM5 (0.35) CDK2GRM5CTSACYP2C19
SCHEMBL30980583 0.78 CSF1R (0.35) CDK2GRM5PDE4APDE4BPDE4C
SCHEMBL24768930 0.77 CYP17A1 (0.35)
SCHEMBL29963510 0.77 CYP17A1 (0.35)
SCHEMBL22924885 0.77 CYP2C19 (0.33) CDK2GRM5CTSACYP2C19
SCHEMBL30416534 0.77 CYP2C19 (0.33) CDK2GRM5CTSACYP2C19

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-20220402881-A1 SMALL MOLECULE PROSTAGLADIN TRANSPORT INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE 2022-12-22 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-20220402881-A1 SMALL MOLECULE PROSTAGLADIN TRANSPORT INHIBITORS PTGER1, PTGIS, PTGIR CDK2 2985/4885CCR4 3711/4885GRM5 800/4885

“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.