SCHEMBL2074640

SCHEMBL2074640

COC(=O)C1(C(=O)O)CC1c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
KDM1A O60341 2/20 0.39
RCOR1 Q9UKL0 2/20 0.39
LIG1 P18858 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RORC P51449 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL28885346 0.92 KDM1A (0.41) MAPTALDH1A1LMNACYP3A4TSHR
SCHEMBL2528047 0.86 MAPT (0.52) MAPTKDM1AMEN1KMT2ASLC6A3
SCHEMBL12035589 0.86 MAPT (0.52) MAPTKDM1AMEN1KMT2ASLC6A3
SCHEMBL28279218 0.85 OPRK1 (0.44) MAPTALDH1A1KDM1ARCOR1LIG1
SCHEMBL27903891 0.84 GAA (0.47) MAPTALDH1A1LMNATSHRKDM1A
SCHEMBL4133969 0.80 KDM1A (0.44) LMNAKDM1ARCOR1LIG1RORC
SCHEMBL9989762 0.79 MAPT (0.55) MAPTKDM1AMEN1KMT2A
SCHEMBL5961926 0.79 MAPT (0.55) MAPTKDM1AMEN1KMT2A
SCHEMBL8039628 0.78 TSHR (0.47) ALDH1A1LMNACYP3A4TSHRKDM1A
SCHEMBL28885404 0.78 TUBB4A (0.44) MAPTALDH1A1CYP3A4TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101945851-B peptidyl nitriles and their use as dipeptidyl peptidase I inhibitors ASTRAZENECA AB 2012-10-31 CN disclosed
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
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
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
CN-101945851-A Peptidyl nitriles and their use as dipeptidyl peptidase I inhibitors ASTRAZENECA AB 2011-01-12 CN 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
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US 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
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 MAPT 3970/4885ALDH1A1 1620/4885LMNA 2051/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R MAPT 3970/4885ALDH1A1 1620/4885LMNA 2051/4885

“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.