SCHEMBL17533962

SCHEMBL17533962

CCN(C(=O)O)C(c1ccc(Br)nc1)N(CC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
FDFT1 P37268 1/20 0.32
OXTR P30559 1/20 0.30

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
SCHEMBL25810696 0.70 PTGS2 (0.47)
SCHEMBL109276 0.70 KCNA5 (0.35) CYP26A1MMP2MMP9MMP8MMP13
SCHEMBL27911767 0.69 FDFT1 (0.36) CYP26A1FDFT1
SCHEMBL17533967 0.69 MAPT (0.44)
SCHEMBL26918760 0.69 MMP2 (0.36) CYP26A1MMP2MMP9MMP8MMP13
SCHEMBL26918755 0.69 MMP2 (0.36) CYP26A1MMP2MMP9MMP8MMP13
SCHEMBL27513381 0.68 FDFT1 (0.38) CYP26A1MMP2MMP9MMP8MMP13
SCHEMBL568400 0.68 LMNA (0.45) FDFT1
SCHEMBL23269964 0.68 FDFT1 (0.35) CYP26A1MMP2MMP9MMP8MMP13
SCHEMBL18492922 0.68 FDFT1 (0.35) CYP26A1MMP2MMP9MMP8MMP13

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 CYP26A1 553/4885MMP2 44/4885MMP9 81/4885
US-20160340319-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO CYP26A1 553/4885MMP2 44/4885MMP9 81/4885

“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.