SCHEMBL2589714

SCHEMBL2589714

CCOC(=O)COc1c(Br)ccc(OC(F)F)c1OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.43
GAA P10253 5/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
PTPN1 P18031 1/20 0.38
PRNP P04156 1/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL16784831 0.87 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2C19POLBGAA
SCHEMBL2582074 0.85 TSHR (0.48) POLBTSHRL3MBTL1MEN1KMT2A
SCHEMBL2591532 0.83 MEN1 (0.36) POLBMEN1KMT2AKDM4EMAPT
SCHEMBL2591187 0.80 PDE4D (0.46) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL2584271 0.78 ALDH1A1 (0.41) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL2591433 0.76 ALOX5AP (0.34) MAPTPTPN1
SCHEMBL2589057 0.75 ALDH1A1 (0.33) ALDH1A1GAAMAPT
SCHEMBL14722446 0.74 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP2C19POLBGAA
SCHEMBL2590931 0.74 ALOX5AP (0.33) MEN1KMT2A
SCHEMBL16784834 0.73 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C19POLBGAA

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
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-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 ALDH1A1 824/4885CYP1A2 167/4885CYP2C19 553/4885

“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.