SCHEMBL2589751

SCHEMBL2589751

CNC(=O)c1ccc(COc2c(-c3ccc4c(c3)CCC4=O)ccc(OC)c2OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.41
SMPD1 P17405 3/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 0.41
TUBB2B Q9BVA1 2/20 0.41
TUBB1 Q9H4B7 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL7713036 0.90 HSD17B1 (0.43) HSD17B1SMPD1KCNH2HRH3ALDH1A1
SCHEMBL2591432 0.89 HSD17B1 (0.42) HSD17B1SMPD1TUBB4ATUBBTUBA3C
SCHEMBL2591294 0.88 HSD17B1 (0.41) HSD17B1SMPD1TUBB4ATUBBTUBA3C
SCHEMBL14738082 0.86 PRF1 (0.54) SMPD1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2594903 0.86 POLQ (0.40) SMPD1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2591335 0.83 KDM4E (0.46) SMPD1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2586157 0.82 HSD17B1 (0.43) HSD17B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17599629 0.81 HSD17B1 (0.49) HSD17B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2593318 0.81 HSD17B1 (0.46) HSD17B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14735748 0.80 HSD17B1 (0.48) HSD17B1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP claimed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US claimed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US claimed
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP claimed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO claimed
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
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-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
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP disclosed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A HSD17B1 122/4885SMPD1 17/4885TUBB4A 2630/4885

“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.