SCHEMBL5388430

SCHEMBL5388430

COC(=O)[C@@H](C)Oc1ccc(C#N)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.49
TRPA1 O75762 1/20 0.44
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
ALDH2 P05091 1/20 0.43
S1PR3 Q99500 3/20 0.42
S1PR1 P21453 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KLK7 P49862 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39

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
SCHEMBL5388435 1.00 SMN1; SMN2 (0.49) SMN1; SMN2GAATRPA1CYP11B1CYP11B2
SCHEMBL5390593 1.00 SMN1; SMN2 (0.49) SMN1; SMN2GAATRPA1CYP11B1CYP11B2
SCHEMBL14446991 0.86 L3MBTL1 (0.47) SMN1; SMN2GAATRPA1CYP11B1CYP11B2
SCHEMBL5390614 0.85 TDP1 (0.51) SMN1; SMN2GAATRPA1CYP11B1CYP11B2
SCHEMBL5390620 0.85 TDP1 (0.51) SMN1; SMN2GAATRPA1CYP11B1CYP11B2
SCHEMBL5388674 0.85 TRPA1 (0.52) SMN1; SMN2GAATRPA1CYP11B1CYP11B2
SCHEMBL5389947 0.85 TRPA1 (0.52) SMN1; SMN2GAATRPA1CYP11B1CYP11B2
SCHEMBL5400498 0.81 TRPV4 (0.47) TRPV4
SCHEMBL5400493 0.81 TRPV4 (0.47) TRPV4
SCHEMBL11963251 0.80 CYP11B1 (0.61) SMN1; SMN2GAATRPA1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 US disclosed
EP-1373258-B1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2005-09-28 EP disclosed
US-20050049258-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC 2005-03-03 US disclosed
US-6828333-B2 Treatment of diseases regulated by the activation and degranulation of eosinophils, especially asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC. 2004-12-07 US disclosed
WO-2004004684-A1 CONTROLLED-RELEASE PHARMACEUTICAL FORMULATIONS PFIZER PRODUCTS INC. (US) 2004-01-15 WO disclosed
EP-1373258-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2004-01-02 EP disclosed
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2003-02-06 US disclosed
WO-2002060896-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 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 (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-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D SMN1; SMN2 3836/4885GAA 181/4885TRPA1 4178/4885
US-20050049258-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PDE4A, PDE4B, PDE3B SMN1; SMN2 2619/4885GAA 2336/4885TRPA1 3117/4885
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE4B SMN1; SMN2 2375/4885GAA 1502/4885TRPA1 4281/4885

“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.