SCHEMBL13330076

SCHEMBL13330076

O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccc(CBr)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.68
CA1 P00915 5/20 0.68
PTPN1 P18031 2/20 0.63
CA12 O43570 1/20 0.59
CA9 Q16790 1/20 0.59
FOLH1 Q04609 1/20 0.53
NAALAD2 Q9Y3Q0 1/20 0.53
CTSL P07711 1/20 0.53
LNPEP Q9UIQ6 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ACE P12821 1/20 0.50

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
SCHEMBL8671997 0.93 CA2 (0.77) CA2CA1PTPN1CA12CA9
SCHEMBL4054766 0.93 CA2 (0.77) CA2CA1PTPN1CA12CA9
SCHEMBL4054764 0.93 CA2 (0.77) CA2CA1PTPN1CA12CA9
SCHEMBL13330074 0.90 PTPN1 (0.77) CA2CA1PTPN1CA12CA9
SCHEMBL7363606 0.88 CA2 (0.71) CA2CA1PTPN1CA12CA9
SCHEMBL5793343 0.87 CA2 (0.69) CA2CA1PTPN1CA12CA9
SCHEMBL8667639 0.87 CA2 (0.69) CA2CA1PTPN1CA12CA9
SCHEMBL3404637 0.87 CA2 (0.69) CA2CA1PTPN1CA12CA9
SCHEMBL8520566 0.87 PTPN1 (0.72) CA2CA1PTPN1CA12CA9
SCHEMBL3497780 0.87 PTPN1 (0.72) CA2CA1PTPN1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113386-A1 N-BENZYL SUBSTITUTED PYRIDYL PORPHYRIN COMPOUNDS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-06 US disclosed
US-20100113386-A1 N-BENZYL SUBSTITUTED PYRIDYL PORPHYRIN COMPOUNDS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-06 US disclosed
US-7642250-B2 N-benzyl substituted pyridyl porphyrin compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-05 US disclosed
US-7642250-B2 N-benzyl substituted pyridyl porphyrin compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-05 US disclosed
WO-2007038630-A2 N-BENZYL SUBSTITUTED PYRIDYL PORPHYRIN COMPOUNDS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2007-04-05 WO disclosed
US-20070072825-A1 N-benzyl substituted pyridyl porphyrin compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-29 US disclosed
US-20070072825-A1 N-benzyl substituted pyridyl porphyrin compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-29 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 (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-20100113386-A1 N-BENZYL SUBSTITUTED PYRIDYL PORPHYRIN COMPOUNDS AND METHODS OF USE THEREOF PPOX, PPIF, COX5A CA2 4500/4885CA1 4209/4885PTPN1 1541/4885
US-20070072825-A1 N-benzyl substituted pyridyl porphyrin compounds and methods of use thereof PPOX, PPIF, COX5A CA2 4500/4885CA1 4209/4885PTPN1 1541/4885

“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.