SCHEMBL21918367

SCHEMBL21918367

CCCOc1c(OC)ccc(B2OC(C)(C)C(C)(C)O2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 7/20 0.44
MPO P05164 1/20 0.34
AR P10275 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MYB P10242 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
EGFR P00533 2/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL21918944 0.86 FPR2 (0.35) FPR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL21919570 0.83 KDM4E (0.38) FPR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL21918831 0.81 FPR2 (0.41) FPR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL23692792 0.77 EGFR (0.33) KDM4EALDH1A1MAPTEGFRLPL
SCHEMBL21918751 0.76 FPR2 (0.45) FPR2PDE4BPDE4D
SCHEMBL21823671 0.73 FPR2 (0.47) FPR2MPOARKDM4EALDH1A1
SCHEMBL5104230 0.71 PDE4A (0.32) KDM4EPDE4BPDE4DEGFRLPL
SCHEMBL21823670 0.70 FPR2 (0.38) FPR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3678647 0.70 EGFR (0.33) KDM4EALDH1A1MAPTSMN1; SMN2EGFR
SCHEMBL10031058 0.70 CHRM2 (0.40) KDM4EALDH1A1SMN1; SMN2EGFRLPL

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 9 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
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-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
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

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 4123/4885MPO 735/4885AR 1394/4885
US-20210069219-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B FPR2 3899/4885MPO 208/4885AR 1461/4885
US-20200108083-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B FPR2 3899/4885MPO 208/4885AR 1461/4885
US-20230148402-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B FPR2 3899/4885MPO 208/4885AR 1461/4885
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PDE4A, PDE4B, PDE12 FPR2 4073/4885MPO 943/4885AR 843/4885

“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.