SCHEMBL6558181

SCHEMBL6558181

O=C(O)C[C@H](Nc1ncccn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKLR P30613 1/20 0.40
CA2 P00918 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
CA4 P22748 1/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MME P08473 1/20 0.38
CASP3 P42574 1/20 0.38
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 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
SCHEMBL6558177 1.00 PKLR (0.40) PKLRCA2GAAMAPTCA4
SCHEMBL7575988 0.82 NAALAD2 (0.47) GAA
SCHEMBL7575979 0.82 NAALAD2 (0.47) GAA
SCHEMBL13760292 0.81 KDM4E (0.41) CA2GAAMAPTPPARGPPARA
SCHEMBL5828020 0.81 KDM4E (0.41) CA2GAAMAPTPPARGPPARA
SCHEMBL15583399 0.80 CA2 (0.40) PKLRCA2GAAMAPTCA4
SCHEMBL4456734 0.79 PPARG (0.37) GAAPPARGPPARALMNAHTT
SCHEMBL4455175 0.79 PPARG (0.37) GAAPPARGPPARALMNAHTT
SCHEMBL2501414 0.77 PPARG (0.54) PPARGPPARAMME
SCHEMBL27719027 0.77 PPARG (0.54) PPARGPPARAMME

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826671-B1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
CN-1504462-A Pyrimidinyl derivatives as interleukin inhibitors ������˹ҩƷ��˾ 2004-06-16 CN disclosed
EP-0752987-B1 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS VERTEX PHARMA (US) 2003-11-12 EP disclosed
EP-0752987-B1 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS VERTEX PHARMA (US) 2003-11-12 EP disclosed
CN-1118458-C Pyrimidinyl derivatives as interleukin inhibitors FERTERX PHARMACEUTICAL INC (US) 2003-08-20 CN disclosed
US-6407080-B2 USED AS RESEARCH TOOLS IN PHARMACOLOGICAL, DIAGNOSTIC STUDIES AND TREATMENT OF DISEASES IN MAMMALS IN WHICH 1L-BETA-PROTEASE ACTIVITY IS IMPLICATED; ANTIINFLAMMATORY AGENT VERTEX PHARMACEUTICALS INCORPORATED 2002-06-18 US disclosed
US-6407080-B2 USED AS RESEARCH TOOLS IN PHARMACOLOGICAL, DIAGNOSTIC STUDIES AND TREATMENT OF DISEASES IN MAMMALS IN WHICH 1L-BETA-PROTEASE ACTIVITY IS IMPLICATED; ANTIINFLAMMATORY AGENT VERTEX PHARMACEUTICALS INCORPORATED 2002-06-18 US disclosed
US-6407080-B2 USED AS RESEARCH TOOLS IN PHARMACOLOGICAL, DIAGNOSTIC STUDIES AND TREATMENT OF DISEASES IN MAMMALS IN WHICH 1L-BETA-PROTEASE ACTIVITY IS IMPLICATED; ANTIINFLAMMATORY AGENT VERTEX PHARMACEUTICALS INCORPORATED 2002-06-18 US disclosed
US-20010003750-A1 N-(pyrimidinyl)-aspartic acid analogs as interleukin-1beta converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2001-06-14 US disclosed
US-20010003750-A1 N-(pyrimidinyl)-aspartic acid analogs as interleukin-1beta converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2001-06-14 US disclosed
US-5670494-A N-(pyrimidinyl)-aspartic acid analogs as interleukin-1β converting enzyme inhibitors SANOFT 1997-09-23 US disclosed
US-5670494-A N-(pyrimidinyl)-aspartic acid analogs as interleukin-1β converting enzyme inhibitors SANOFT 1997-09-23 US disclosed
US-5670494-A N-(pyrimidinyl)-aspartic acid analogs as interleukin-1β converting enzyme inhibitors SANOFT 1997-09-23 US disclosed
CN-1149292-A Pyrimidinyl derivatives as interleukin inhibitors SANOFI WINTHROP INC (US) 1997-05-07 CN disclosed
EP-0752987-A4 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS SANOFI WINTHROP INC (US) 1997-04-09 EP disclosed
EP-0752987-A4 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS SANOFI WINTHROP INC (US) 1997-04-09 EP disclosed
EP-0752987-A1 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS SANOFI WINTHROP, INC. (US) 1997-01-15 EP disclosed
EP-0752987-A1 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS SANOFI WINTHROP, INC. (US) 1997-01-15 EP disclosed
WO-1995026958-A1 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS SANOFI WINTHROP, INC. (US) 1995-10-12 WO disclosed
WO-1995026958-A1 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS SANOFI WINTHROP, INC. (US) 1995-10-12 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 (1 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-20010003750-A1 N-(pyrimidinyl)-aspartic acid analogs as interleukin-1beta converting enzyme inhibitors IL1A, IL1B, IL1RN PKLR 722/4885CA2 2746/4885GAA 338/4885

“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.