SCHEMBL15912960

SCHEMBL15912960

N#Cc1ccc(C(NC(=O)O)NC(=O)O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GPR27 Q9NS67 1/20 0.38
S1PR3 Q99500 5/20 0.37
USP30 Q70CQ3 2/20 0.37
CNR2 P34972 1/20 0.37
CTSA P10619 2/20 0.37
EEF2K O00418 1/20 0.36
PKM P14618 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TRPA1 O75762 1/20 0.36
S1PR1 P21453 2/20 0.36
S1PR4 O95977 1/20 0.35

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
SCHEMBL15934337 0.82 SMN1; SMN2 (0.43) MAP2K1FFAR1FFAR4MEN1KMT2A
SCHEMBL29924929 0.76 PTGS1 (0.48) MAP2K1FFAR1FFAR4MEN1KMT2A
SCHEMBL15932445 0.76 SMN1; SMN2 (0.40) MAP2K1FFAR1FFAR4MEN1KMT2A
SCHEMBL26090799 0.74 CYP11B2 (0.41) MAP2K1FFAR1FFAR4MEN1KMT2A
SCHEMBL15912993 0.73 MAPT (0.46) MEN1KMT2AS1PR3EEF2KGAA
SCHEMBL18112296 0.72 MAP2K1 (0.51) MAP2K1FFAR1FFAR4MEN1KMT2A
SCHEMBL8576534 0.72 KIF11 (0.37) FFAR1FFAR4MEN1KMT2A
SCHEMBL2926444 0.72 PSEN1 (0.36) MAP2K1FFAR1FFAR4MEN1KMT2A
SCHEMBL23925375 0.72 PDCD1 (0.43) MAP2K1FFAR1FFAR4CNR2GAA
SCHEMBL29974182 0.72 PDCD1 (0.43) MAP2K1FFAR1FFAR4CNR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953943-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2017-04-12 EP disclosed
US-9290459-B1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-22 US disclosed
US-20160060231-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-03-03 US disclosed
EP-2953943-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY Boehringer Ingelheim International GmbH (DE) 2015-12-16 EP disclosed
WO-2014122160-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-14 WO disclosed
US-20140221335-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 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-20140221335-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO MAP2K1 2342/4885FFAR1 2704/4885FFAR4 3699/4885
US-20160060231-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO MAP2K1 2342/4885FFAR1 2704/4885FFAR4 3699/4885

“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.