SCHEMBL3580109

SCHEMBL3580109

COc1nccc2cccc(NC(=O)C3(O)CCCCC3NC(=O)OC(C)(C)C)c12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.33
P2RY1 P47900 2/20 0.33
KDM4D Q6B0I6 2/20 0.31
METAP1 P53582 1/20 0.31
BTK Q06187 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
RET P07949 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
PDE10A Q9Y233 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGS2 P35354 1/20 0.30
PDE4B Q07343 1/20 0.30
ATR Q13535 1/20 0.30
EPHX2 P34913 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
SCHEMBL3574051 0.81 MTNR1A (0.39)
SCHEMBL3587625 0.80 CD274 (0.33) L3MBTL1
SCHEMBL3577828 0.79 MAPT (0.42) POLBALDH1A1
SCHEMBL3581635 0.77 ADAM17 (0.36) CKS1BSKP1SKP2PDE10A
SCHEMBL3581356 0.77 ADAM17 (0.34) CKS1BSKP1SKP2PDE10A
SCHEMBL5263242 0.76 KCNH2 (0.42) KDM4ERETALDH1A1
SCHEMBL3583797 0.74 JAK1 (0.35) KDM4DRET
SCHEMBL5264535 0.74 KCNH2 (0.37) KDM4DRETALDH1A1
SCHEMBL5635423 0.74 ALDH1A1 (0.35) RETALDH1A1HTTL3MBTL1PDE4B
SCHEMBL5260906 0.72 CDK8 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 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 (2 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-20060189604-A1 Compounds ELANE, PIGS, SDHA TYK2 3864/4885P2RY1 3719/4885KDM4D 3745/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS TYK2 4728/4885P2RY1 4219/4885KDM4D 4463/4885

“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.