SCHEMBL4645532

SCHEMBL4645532

Cc1cn(C)c(CC(=O)O)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.55
POLB P06746 3/20 0.51
LMNA P02545 3/20 0.50
NOTUM Q6P988 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KLKB1 P03952 1/20 0.33
CTSB P07858 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
CYP3A4 P08684 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL11076258 0.98 TP53 (0.53) TP53POLBLMNANOTUMPTGDR2
SCHEMBL11066272 0.84 TP53 (0.51) TP53POLBLMNANOTUMKDM4E
SCHEMBL23498885 0.83 TP53 (0.49) TP53POLBLMNANOTUMKDM4E
SCHEMBL7678717 0.82 LMNA (0.57) TP53POLBLMNAKDM4EL3MBTL1
SCHEMBL11241475 0.79 TP53 (0.37) TP53POLBLMNAKDM4EALDH1A1
SCHEMBL11214797 0.78 PTGS2 (0.54) TP53POLBLMNAALDH1A1
SCHEMBL23498965 0.76 TP53 (0.44) TP53POLBLMNANOTUMKDM4E
SCHEMBL9959156 0.74 TP53 (0.40) TP53POLBLMNANOTUMKDM4E
SCHEMBL5553127 0.72 TP53 (0.39) TP53POLBLMNANOTUMKDM4E
SCHEMBL21810001 0.71 TP53 (0.43) TP53POLBLMNANOTUMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105214-B2 Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORPORATION (US) 2006-09-12 US claimed
US-20030124320-A1 Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORPORATION 2003-07-03 US claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
EP-0673782-B1 Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORP (US) 2000-06-14 EP claimed
US-5657064-A Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORPORATION (US) 1997-08-12 US claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
EP-0673782-A2 Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORPORATION (US) 1995-09-27 EP claimed
EP-0092487-B1 PROCESS FOR THE PREPARATION OF 3-CARBOXY-1,4-DIMETHYLPYRROL-2-ACETIC ACID Montedison S.p.A. (IT) 1987-10-07 EP claimed
EP-0092487-A1 Process for the preparation of 3-carboxy-1,4-dimethylpyrrol-2-acetic acid Montedison S.p.A. (IT) 1983-10-26 EP claimed
US-4363918-A Method of preparing 1-alkyl-3-carboxy-1H pyrrole-2-acetic acids JANSSEN PHARMACEUTICA N.V. (BE) 1982-12-14 US claimed
US-8304406-B2 Compounds for treating pulmonary hypertension BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-06 US disclosed
US-8304406-B2 Compounds for treating pulmonary hypertension BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-06 US disclosed
US-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2011-10-27 US disclosed
WO-1982001552-A1 PROCESS FOR PRODUCING SUBSTITUTED PYRROLES ETHYL CORP (US) 1982-05-13 WO disclosed
EP-0051442-A1 Process for producing substituted pyrroles ETHYL CORPORATION (US) 1982-05-12 EP disclosed
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 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 (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-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY VEGFA, PGF, FLT1 TP53 1473/4885POLB 1104/4885LMNA 1545/4885

“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.