SCHEMBL2792252

SCHEMBL2792252

O=C(O)C1CCc2cc(Cl)ccc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.56
PDE5A O76074 1/20 0.56
P2RX7 Q99572 2/20 0.47
SRD5A1 P18405 5/20 0.47
SRD5A2 P31213 3/20 0.44
FABP4 P15090 6/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL19643503 0.90 MAP4K4 (0.48) MAP4K4PDE5AP2RX7SRD5A1SRD5A2
SCHEMBL10467284 0.86 FABP4 (0.49) MAP4K4PDE5AFABP4
SCHEMBL14916469 0.85 SIRT1 (0.49) MAP4K4PDE5AP2RX7SRD5A1SRD5A2
SCHEMBL15129165 0.85 SIRT1 (0.49) MAP4K4PDE5AP2RX7SRD5A1SRD5A2
SCHEMBL15129328 0.85 SIRT1 (0.49) MAP4K4PDE5AP2RX7SRD5A1SRD5A2
SCHEMBL9364527 0.84 ESR1 (0.49) MAP4K4PDE5AFABP4
SCHEMBL23552445 0.81 P2RX7 (0.52) MAP4K4PDE5AP2RX7SRD5A1SRD5A2
SCHEMBL19285262 0.81 P2RX7 (0.46) MAP4K4PDE5AP2RX7SRD5A1SRD5A2
SCHEMBL29552779 0.81 P2RX7 (0.46) MAP4K4PDE5AP2RX7SRD5A1SRD5A2
SCHEMBL23670494 0.81 P2RX7 (0.46) MAP4K4PDE5AP2RX7SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12091425-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-09-17 US disclosed
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-02-16 US disclosed
US-11306107-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2022-04-19 US disclosed
US-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2021-07-29 US disclosed
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein ABBVIE S.Á.R.L. (LU) 2018-11-06 US disclosed
WO-2017187321-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AbbVie S.à.r.l. (LU) 2017-11-02 WO disclosed
US-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN ABBVIE S.Á.R.L. (LU) 2017-10-26 US disclosed
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 US disclosed
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 US disclosed
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 US disclosed
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2009-05-07 US disclosed
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2009-05-07 US disclosed
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2009-05-07 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 (8 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-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 MAP4K4 2938/4885PDE5A 4155/4885P2RX7 4592/4885
US-11306107-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 MAP4K4 2938/4885PDE5A 4155/4885P2RX7 4592/4885
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 MAP4K4 31/4885PDE5A 1935/4885P2RX7 2501/4885
US-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN CFTR, CHRM2, CHRM1 MAP4K4 4444/4885PDE5A 530/4885P2RX7 979/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 MAP4K4 31/4885PDE5A 1935/4885P2RX7 2501/4885
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein CFTR, CHRM2, CHRM1 MAP4K4 4444/4885PDE5A 530/4885P2RX7 979/4885
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 MAP4K4 2938/4885PDE5A 4155/4885P2RX7 4592/4885
US-12091425-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 MAP4K4 2938/4885PDE5A 4155/4885P2RX7 4592/4885

“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.