SCHEMBL4023541

SCHEMBL4023541

COc1ccc(NCCS)cc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
PDE4A P27815 12/20 0.49
PDE4B Q07343 14/20 0.47
PDE4C Q08493 10/20 0.47
PDE4D Q08499 10/20 0.47
RECQL P46063 1/20 0.45
QPCT Q16769 1/20 0.45

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
SCHEMBL4027416 0.86 POLB (0.56) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL4023540 0.86 POLB (0.56) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL7358310 0.85 POLB (0.60) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL8252486 0.84 POLB (0.54) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL1157387 0.82 PDE4A (0.56) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL3967066 0.82 POLB (0.55) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL12195758 0.80 POLB (0.64) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL1157332 0.79 PDE4A (0.58) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL4204791 0.79 PDE4D (0.54) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL1157601 0.78 MEN1 (0.58) POLBPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 US disclosed
EP-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 EP disclosed
EP-1846430-A1 NEW MACROLIDES Basilea Pharmaceutica AG (CH) 2007-10-24 EP disclosed
US-20060264387-A1 Macrolides BASILEA PHARMACEUTICA AG (CH) 2006-11-23 US disclosed
WO-2006084410-A1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2006-08-17 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 (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-20060264387-A1 Macrolides PPME1, MGAM, SMPD1 POLB 2048/4885PDE4A 204/4885PDE4B 313/4885

“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.