SCHEMBL17533969

SCHEMBL17533969

CCN(C(=O)O)C(c1ccc(C#N)cc1F)N(CC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NSD2 O96028 1/20 0.36
SLC22A12 Q96S37 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
EP300 Q09472 3/20 0.33
EEF2K O00418 1/20 0.33
CTSA P10619 1/20 0.33
GLA P06280 1/20 0.33
MAP2K1 Q02750 1/20 0.33
KCNK3 O14649 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
SLC6A9 P48067 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL17533967 0.77 MAPT (0.44) NSD2GAA
SCHEMBL29924929 0.74 PTGS1 (0.48) FFAR1FFAR4SLC22A12GAASMN1; SMN2
SCHEMBL23925375 0.72 PDCD1 (0.43) FFAR1FFAR4GAASMN1; SMN2MAP2K1
SCHEMBL29974182 0.72 PDCD1 (0.43) FFAR1FFAR4GAASMN1; SMN2MAP2K1
SCHEMBL25004034 0.72 PDE2A (0.55) FFAR1FFAR4GAASMN1; SMN2KCNK3
SCHEMBL19987470 0.71 CYP2A6 (0.38) FFAR1FFAR4KEAP1NFE2L2KCNK3
SCHEMBL29150011 0.70 PDCD1 (0.39) FFAR1FFAR4GAASMN1; SMN2MAP2K1
SCHEMBL18552812 0.70 CYP2A6 (0.37) FFAR1FFAR4GAASMN1; SMN2EP300
SCHEMBL15912960 0.70 MAP2K1 (0.39) FFAR1FFAR4GAAEEF2KCTSA
SCHEMBL29098047 0.70 PDE2A (0.39) FFAR1FFAR4SLC22A12GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670166-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-06 US disclosed
US-20160340319-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-11-24 US disclosed
US-20160060230-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-03-03 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 (2 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-20160060230-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO FFAR1 2704/4885FFAR4 3699/4885NSD2 2551/4885
US-20160340319-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO FFAR1 2704/4885FFAR4 3699/4885NSD2 2551/4885

“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.