SCHEMBL21823391

SCHEMBL21823391

COc1ccc(Br)cc1OCCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
HPGD P15428 5/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
THRB P10828 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
PRSS1 P07477 2/20 0.38
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
GLA P06280 1/20 0.36
DUT P33316 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
SCHEMBL31096108 1.00 MAPT (0.42) MAPTL3MBTL1HPGDRAB9ANPC1
SCHEMBL31096271 0.93 MAPT (0.39) MAPTL3MBTL1HPGDRAB9ANPC1
SCHEMBL21823579 0.93 MAPT (0.39) MAPTL3MBTL1HPGDRAB9ANPC1
SCHEMBL24901706 0.87 FDPS (0.41) MAPTL3MBTL1HPGDRAB9ANPC1
SCHEMBL30967302 0.85 HPGD (0.39) MAPTHPGDRAB9AKDM4ETSHR
SCHEMBL30967300 0.85 HPGD (0.39) MAPTHPGDRAB9AKDM4ETSHR
SCHEMBL24505638 0.83 RAB9A (0.38) HPGDRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL21823519 0.82 FPR2 (0.45) CYP1A2
SCHEMBL31096015 0.82 FPR2 (0.45) CYP1A2
SCHEMBL4056078 0.80 PTGDR2 (0.40) L3MBTL1HPGDRAB9ASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3861001-A1 BORON CONTAINING PDE4 INHIBITORS Pfizer Inc. (US) 2021-08-11 EP 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-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 3874/4885L3MBTL1 3005/4885HPGD 784/4885
US-20210069219-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B MAPT 3172/4885L3MBTL1 3173/4885HPGD 1240/4885
US-20200108083-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B MAPT 3172/4885L3MBTL1 3173/4885HPGD 1240/4885
US-20230148402-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B MAPT 3172/4885L3MBTL1 3173/4885HPGD 1240/4885
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PDE4A, PDE4B, PDE12 MAPT 2689/4885L3MBTL1 3777/4885HPGD 627/4885

“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.