SCHEMBL3374820

SCHEMBL3374820

COCCCOc1cc(Cl)cc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.54
TPMT P51580 1/20 0.48
F2 P00734 7/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
HCAR1 Q9BXC0 1/20 0.43
KMT2A Q03164 2/20 0.42
PLA2G4B P0C869 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL5175776 0.92 PLA2G2A (0.51) PLA2G2ATPMTF2MRGPRX4HCAR1
SCHEMBL3487150 0.89 PLA2G2A (0.67) PLA2G2AKMT2APLA2G4BMEN1
SCHEMBL2666319 0.86 PLA2G2A (0.69) PLA2G2ATPMTKMT2APLA2G4B
SCHEMBL3371902 0.85 ESR1 (0.46) F2
SCHEMBL56353 0.84 PLA2G2A (0.61) PLA2G2AMRGPRX4KMT2APLA2G4BMEN1
SCHEMBL13461246 0.83 PLA2G2A (0.73) PLA2G2AKMT2APLA2G4B
SCHEMBL89430 0.81 PLA2G2A (0.54) PLA2G2AKMT2APLA2G4BMEN1MAPT
SCHEMBL89376 0.81 PLA2G2A (0.66) PLA2G2AMRGPRX4KMT2AMEN1KDM4E
SCHEMBL2175665 0.80 PLA2G2A (0.53) PLA2G2AMRGPRX4KMT2APLA2G4BMEN1
SCHEMBL23352170 0.80 PLA2G2A (0.64) PLA2G2AKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 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-20080194549-A1 Organic Compounds REN, ACE, OTC PLA2G2A 4559/4885TPMT 225/4885F2 82/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 PLA2G2A 2842/4885TPMT 4235/4885F2 612/4885

“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.