SCHEMBL14737608

SCHEMBL14737608

COc1ccc(-c2ccc3c(c2)COC3=O)c(OC(=O)CCSC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
IMPDH2 P12268 1/20 0.41
PDE4D Q08499 12/20 0.41
PRF1 P14222 2/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL14737690 0.89 KDM4E (0.49) CYP3A4IMPDH2PDE4DPRF1KDM4E
SCHEMBL2591507 0.88 PDE4D (0.41) CYP3A4IMPDH2PDE4DPRF1KDM4E
SCHEMBL14737293 0.87 PDE4D (0.46) CYP3A4IMPDH2PDE4DPRF1KDM4E
SCHEMBL14737196 0.86 PDE4D (0.40) CYP3A4IMPDH2PDE4DPRF1ABCG2
SCHEMBL2592292 0.85 PDE4D (0.40) IMPDH2PDE4DABCG2PDE4APDE4B
SCHEMBL14737279 0.84 KDM4E (0.43) PDE4DKDM4E
SCHEMBL14737372 0.84 PRF1 (0.45) CYP3A4IMPDH2PDE4DPRF1KDM4E
SCHEMBL14737181 0.84 PDE4D (0.47) CYP3A4IMPDH2PDE4DPRF1KDM4E
SCHEMBL14737305 0.84 PDE4D (0.43) PDE4DPRF1ABCG2
SCHEMBL2589152 0.83 PRF1 (0.47) CYP3A4IMPDH2PDE4DPRF1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US claimed
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 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 (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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A CYP3A4 324/4885IMPDH2 402/4885PDE4D 10/4885

“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.