SCHEMBL3304082

SCHEMBL3304082

COC(=O)c1ccc(OC)c2c1OC1(CCSC1)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
KDM4E B2RXH2 9/20 0.38
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 5/20 0.38
LMNA P02545 1/20 0.38
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HSP90AA1 P07900 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 3/20 0.32
CHEK1 O14757 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 3/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL3303826 0.92 PDE4A (0.47) PDE4AKDM4EALDH1A1HSD17B10LMNA
SCHEMBL3302030 0.89 PDE4A (0.39) PDE4AKDM4EALDH1A1HSD17B10LMNA
SCHEMBL5722749 0.83 ALDH1A1 (0.46) PDE4AKDM4EALDH1A1HSD17B10LMNA
SCHEMBL3304143 0.81 ALDH1A1 (0.43) PDE4AKDM4EALDH1A1HSD17B10LMNA
SCHEMBL3305218 0.81 PDE4A (0.45) PDE4AKDM4EALDH1A1HSD17B10LMNA
SCHEMBL30869219 0.81 KDM4E (0.54) PDE4AKDM4EALDH1A1HSD17B10LMNA
SCHEMBL17375277 0.81 KDM4E (0.54) PDE4AKDM4EALDH1A1HSD17B10LMNA
SCHEMBL1697742 0.80 PDE4A (0.63) PDE4AKDM4EALDH1A1LMNAMAPT
SCHEMBL3304223 0.80 KDM4E (0.40) PDE4AKDM4EALDH1A1HSD17B10LMNA
SCHEMBL3301762 0.77 PDE4A (0.58) PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114951-B9 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2015-09-02 EP disclosed
EP-2114951-B9 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2015-09-02 EP disclosed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US disclosed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US disclosed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US disclosed
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US disclosed
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US disclosed
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US disclosed
WO-2008104175-A2 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2008-09-04 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-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS PDE3A, PDE5A, PDE3B PDE4A 6/4885KDM4E 1235/4885ALDH1A1 372/4885

“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.