SCHEMBL3305218

SCHEMBL3305218

COc1ccc(C(=O)O)c2c1OC1(CCSCC1)O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.45
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CDC25B P30305 1/20 0.36
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
MYC P01106 1/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL3302030 0.92 PDE4A (0.39) PDE4AALDH1A1KDM4EHSD17B10LMNA
SCHEMBL30869219 0.89 KDM4E (0.54) PDE4AALDH1A1KDM4EHSD17B10LMNA
SCHEMBL17375277 0.89 KDM4E (0.54) PDE4AALDH1A1KDM4EHSD17B10LMNA
SCHEMBL3303826 0.88 PDE4A (0.47) PDE4AALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5722764 0.87 ALDH1A1 (0.43) PDE4AALDH1A1KDM4EHSD17B10LMNA
SCHEMBL3299356 0.85 ALDH1A1 (0.44) PDE4AALDH1A1KDM4EHSD17B10LMNA
SCHEMBL3311505 0.84 ALDH1A1 (0.40) PDE4AALDH1A1KDM4EHSD17B10LMNA
SCHEMBL7705396 0.84 PDE4A (0.53) PDE4AALDH1A1PDE4D
SCHEMBL1697812 0.83 PDE4A (0.63) PDE4AALDH1A1LMNAMAPTHTT
SCHEMBL3302363 0.81 CYP2D6 (0.41) ALDH1A1KDM4EHSD17B10LMNAMAPT

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 11 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
EP-2114951-A2 NOVEL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2009-11-11 EP disclosed
WO-2008104175-A2 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2008-09-04 WO 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 6/4885ALDH1A1 372/4885KDM4E 1235/4885

“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.