SCHEMBL2073963

SCHEMBL2073963

N[C@@H](Cc1ccc(Br)nc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.57
SLC7A5 Q01650 3/20 0.54
PTGS1 P23219 3/20 0.53
PKM P14618 2/20 0.53
ALPI P09923 1/20 0.53
XIAP P98170 1/20 0.53
ALOX15 P16050 3/20 0.50
HIF1A Q16665 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
USP2 O75604 1/20 0.50
EGFR P00533 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
HTR2A P28223 1/20 0.50
PTGS2 P35354 1/20 0.50
RECQL P46063 1/20 0.50
PTPRC P08575 1/20 0.48
TYR P14679 5/20 0.46

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
SCHEMBL2073432 1.00 HSD17B10 (0.57) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL2072199 0.87 HSD17B10 (0.41) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL2072202 0.87 HSD17B10 (0.41) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL4200153 0.81 ALDH1A1 (0.45) HSD17B10SLC7A5PTGS2ALDH1A1CPB2
SCHEMBL4629770 0.81 CPB2 (0.63) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL26008176 0.81 CPB2 (0.63) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL229044 0.81 SLC7A5 (0.61) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL15314368 0.81 CPB2 (0.63) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL19704241 0.81 SLC7A5 (0.61) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL25355779 0.80 P4HTM (0.57) HSD17B10SLC7A5PTGS1PKMALPI

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 17 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
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP disclosed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP 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 HSD17B10 1448/4885SLC7A5 3657/4885PTGS1 1814/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R HSD17B10 1448/4885SLC7A5 3657/4885PTGS1 1814/4885

“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.