SCHEMBL2074876

SCHEMBL2074876

NC(=O)C(Cc1ccc(Br)nc1)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 10/20 0.41
FCER2 P06734 6/20 0.38
MMP1 P03956 2/20 0.38
MMP3 P08254 2/20 0.37
MMP9 P14780 1/20 0.37
PPARG P37231 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL12383158 0.81 CTSS (0.49) PPARG
SCHEMBL12495080 0.80 FPR2 (0.48) HPGDSFCER2MMP1MMP3MMP9
SCHEMBL20397627 0.80 FPR2 (0.48) HPGDSFCER2MMP1MMP3MMP9
SCHEMBL13908319 0.79 MAPT (0.47) MMP1MMP3MMP9SIRT2
SCHEMBL2072199 0.77 HSD17B10 (0.41)
SCHEMBL2072202 0.77 HSD17B10 (0.41)
SCHEMBL12568349 0.77 SIRT2 (0.38) MMP9PPARGSIRT2
SCHEMBL2074696 0.76 VHL (0.51)
SCHEMBL5633590 0.75 RECQL (0.51) HPGDS
SCHEMBL5633599 0.75 RECQL (0.51) HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
EP-2231597-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2010-09-29 EP disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 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 (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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R HPGDS 1816/4885FCER2 2242/4885MMP1 4629/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R HPGDS 1816/4885FCER2 2242/4885MMP1 4629/4885

“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.