SCHEMBL21823737

SCHEMBL21823737

C=C(CO[Si](C)(C)C(C)(C)C)c1cncc(-c2ccc(OC)c(OCCO[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 15/20 0.42
PDE4B Q07343 2/20 0.41
S1PR1 P21453 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL21823747 0.95 FPR2 (0.42) FPR2PDE4BS1PR1CYP11B1CYP11B2
SCHEMBL21823604 0.93 FPR2 (0.50) FPR2PDE4B
SCHEMBL31096087 0.93 FPR2 (0.50) FPR2PDE4B
SCHEMBL31096064 0.92 FPR2 (0.49) FPR2PDE4BS1PR1
SCHEMBL21823424 0.92 FPR2 (0.49) FPR2PDE4BS1PR1
SCHEMBL21823538 0.92 FPR2 (0.41) FPR2PDE4BCYP11B1CYP11B2KDM4E
SCHEMBL31096163 0.92 FPR2 (0.41) FPR2PDE4BCYP11B1CYP11B2KDM4E
SCHEMBL31096262 0.91 FPR2 (0.44) FPR2PDE4BPDE4APDE4CPDE4D
SCHEMBL21823730 0.91 FPR2 (0.44) FPR2PDE4BPDE4APDE4CPDE4D
SCHEMBL21823385 0.91 FPR2 (0.48) FPR2PDE4BS1PR1NPC1MAPT

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 16 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
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 FPR2 4123/4885PDE4B 1/4885S1PR1 1187/4885
US-20210069219-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B FPR2 3899/4885PDE4B 1/4885S1PR1 1625/4885
US-20200108083-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B FPR2 3899/4885PDE4B 1/4885S1PR1 1625/4885
US-20230148402-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B FPR2 3899/4885PDE4B 1/4885S1PR1 1625/4885
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PDE4A, PDE4B, PDE12 FPR2 4073/4885PDE4B 2/4885S1PR1 948/4885

“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.