SCHEMBL2567408

SCHEMBL2567408

COc1cc(Cl)c(Br)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
ALOX5 P09917 1/20 0.44
MAOB P27338 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
APP P05067 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
BACE1 P56817 1/20 0.38
LCK P06239 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CGAS Q8N884 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FYN P06241 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
RAB9A P51151 1/20 0.37
CXCL12 P48061 1/20 0.37
ERN1 O75460 1/20 0.37

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
SCHEMBL29587335 0.82 PRKDC (0.48) PTGS2ALOX5LCKPOLBL3MBTL1
SCHEMBL248581 0.82 MAOB (0.48) PTGS2MAOBMEN1KMT2ATRPV1
SCHEMBL25664040 0.80 MAOB (0.46) PTGS2MAOBMEN1KMT2ASLC22A6
SCHEMBL2125933 0.80 GAA (0.50) PTGS2ALOX5MEN1KMT2APOLB
SCHEMBL8703848 0.80 ALOX5 (0.48) PTGS2ALOX5MAOBAPPCGAS
SCHEMBL8579736 0.80 ALOX5 (0.48) PTGS2ALOX5MAOBMEN1KMT2A
SCHEMBL16384984 0.77 NQO2 (0.41) PTGS2ALOX5MEN1KMT2APOLB
SCHEMBL5852205 0.77 ALOX5 (0.45) PTGS2ALOX5MAOBAPPTRPV1
SCHEMBL4398163 0.76 GAA (0.56) PTGS2MAOBMEN1KMT2ATRPV1
SCHEMBL19361333 0.76 ALOX5 (0.48) PTGS2ALOX5MAOBLCKPOLB

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58052297-A None JP disclosed
CN-113166177-B Boron-containing PDE4 inhibitors 辉瑞公司 2024-09-03 CN disclosed
EP-3861001-B1 BORON CONTAINING PDE4 INHIBITORS PFIZER (US) 2023-12-13 EP disclosed
EP-3861001-B1 BORON CONTAINING PDE4 INHIBITORS PFIZER (US) 2023-12-13 EP disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PFIZER INC. (US) 2023-01-24 US disclosed
US-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PFIZER INC. (US) 2023-01-24 US disclosed
EP-3861001-A1 BORON CONTAINING PDE4 INHIBITORS Pfizer Inc. (US) 2021-08-11 EP disclosed
EP-2007767-B1 PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS VERNALIS R&D LTD (GB) 2011-11-02 EP disclosed
US-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors VERNALIS (R&D) LTD. (GB) 2009-06-25 US disclosed
US-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors VERNALIS (R&D) LTD. (GB) 2009-06-25 US disclosed
US-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors VERNALIS (R&D) LTD. (GB) 2009-06-25 US disclosed
WO-2009030871-A1 PYRROLOPYRIMIDINE DERIVATIVES HAVING HSP90 INHIBITORY ACTIVITY VERNALIS R & D LTD (GB) 2009-03-12 WO disclosed
WO-2009030871-A1 PYRROLOPYRIMIDINE DERIVATIVES HAVING HSP90 INHIBITORY ACTIVITY VERNALIS R & D LTD (GB) 2009-03-12 WO disclosed
EP-2007767-A1 PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS VERNALIS (R&D) LTD (GB) 2008-12-31 EP disclosed
WO-2007104944-A1 PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS VERNALIS (R & D) LTD. (GB) 2007-09-20 WO disclosed
WO-2007104944-A1 PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS VERNALIS (R & D) LTD. (GB) 2007-09-20 WO disclosed
JP-S5852297-A ORGANOPHOSPHATE DERIVATIVE AND INSECTICIDE ACARICIDE AND NEMATOCIDE CONTAINING THE SAME KUMIAI CHEM IND CO LTD 1983-03-28 JP 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 (3 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-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PDE4B, PDE4A, PDE3B PTGS2 501/4885ALOX5 749/4885MAOB 48/4885
US-20230148402-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B PTGS2 2480/4885ALOX5 1879/4885MAOB 51/4885
US-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors HSP90AA1, HSP90AB1, RAF1 PTGS2 1992/4885ALOX5 3955/4885MAOB 2830/4885

“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.