SCHEMBL21823652

SCHEMBL21823652

CCOc1ccc(Br)c(F)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.41
TUBB1 Q9H4B7 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
FPR2 P25090 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 2/20 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
SCHEMBL31096290 1.00 MAPT (0.43) MAPTNCOA1NCOA3MEN1KMT2A
SCHEMBL2123778 0.89 TUBB1 (0.40) MAPTMEN1KMT2AHSD17B10LMNA
SCHEMBL16979115 0.87 ALOX5AP (0.44) MAPTNCOA1NCOA3MEN1KMT2A
SCHEMBL31096258 0.85 TUBB1 (0.44) MAPTNCOA1NCOA3MEN1KMT2A
SCHEMBL21823585 0.85 TUBB1 (0.44) MAPTNCOA1NCOA3MEN1KMT2A
SCHEMBL31096136 0.84 TUBB1 (0.41) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL1243244 0.84 HPGD (0.41) MAPTMEN1KMT2AMAPK1HSD17B10
SCHEMBL30189397 0.84 HPGD (0.41) MAPTMEN1KMT2AMAPK1HSD17B10
SCHEMBL4574409 0.84 TUBB1 (0.41) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL1731146 0.79 NCOA1 (0.48) MAPTNCOA1NCOA3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-113166177-A Boron-containing PDE4 inhibitors 辉瑞公司 2021-07-23 CN disclosed
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PFIZER INC. (US) 2021-03-16 US disclosed
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PFIZER INC. (US) 2021-03-16 US disclosed
US-20210069219-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2021-03-11 US disclosed
US-20210069219-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2021-03-11 US disclosed
US-20200108083-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2020-04-09 US disclosed
US-20200108083-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2020-04-09 US disclosed
WO-2020070651-A1 BORON CONTAINING PDE4 INHIBITORS PFIZER INC. (US) 2020-04-09 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 (5 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 MAPT 3874/4885NCOA1 4018/4885NCOA3 4381/4885
US-20210069219-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B MAPT 3172/4885NCOA1 4025/4885NCOA3 4310/4885
US-20200108083-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B MAPT 3172/4885NCOA1 4025/4885NCOA3 4310/4885
US-20230148402-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B MAPT 3172/4885NCOA1 4025/4885NCOA3 4310/4885
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PDE4A, PDE4B, PDE12 MAPT 2689/4885NCOA1 3756/4885NCOA3 2859/4885

“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.