SCHEMBL4235314

SCHEMBL4235314

Nc1ccc2c(c1)C(=O)N(c1ccc(C(=O)O)cc1)C2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 9/20 0.68
▸ CA12 O43570 8/20 0.68
▸ CA1 P00915 7/20 0.68
▸ ALDH1A1 P00352 3/20 0.67
▸ RAB9A P51151 3/20 0.67
▸ NPC1 O15118 2/20 0.67
▸ TSHR P16473 2/20 0.67
▸ CASP1 P29466 2/20 0.67
▸ CASP7 P55210 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ CA2 P00918 4/20 0.66
▸ SCN2A Q99250 1/20 0.66
▸ CA4 P22748 3/20 0.62
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ GFER P55789 1/20 0.58
▸ NPSR1 Q6W5P4 3/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ PPARA Q07869 1/20 0.56
▸ CA7 P43166 1/20 0.54

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
SCHEMBL4234750 0.87 CA9 (0.77) CA9CA12CA1ALDH1A1RAB9A
SCHEMBL8995319 0.87 CASP1 (0.86) CA9CA12CA1ALDH1A1RAB9A
SCHEMBL16790049 0.86 CA9 (0.63) CA9CA12CA1CA2SCN2A
SCHEMBL9339007 0.85 CA9 (0.77) CA9CA12CA1ALDH1A1RAB9A
SCHEMBL9566650 0.85 CASP1 (0.83) CA9CA12CA1ALDH1A1RAB9A
SCHEMBL4230568 0.84 TYMS (0.61) CA9CA1ALDH1A1RAB9ANPC1
SCHEMBL23775707 0.83 MEN1 (0.81) CA9CA12CA1ALDH1A1RAB9A
SCHEMBL15614030 0.83 CA9 (0.61) CA9CA12CA1ALDH1A1RAB9A
SCHEMBL8310927 0.83 ALDH1A1 (0.59) CA9CA12CA1ALDH1A1RAB9A
SCHEMBL7197151 0.83 ESR1 (0.75) CA9CA12CA1CA2SCN2A

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-20090215814-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-08-27 — — US disclosed
US-20070078137-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-04-05 — — US disclosed
US-7148352-B2 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-12-12 — — US disclosed
US-20030186901-A1 Method of inhibiting neurotrophin-receptor binding MINE SAFETY APPLIANCES COMPANY 2003-10-02 — — US disclosed
US-6468990-B1 ADMINISTERING COMPOUNDS HAVING ELECTRONEGATIVE GROUPS WHICH INTERACT WITH CERTAIN LYSINE RESIDUES IN NERVE GROWTH FACTOR AND/OR HYDROPHOBIC MOIETY WHICH INTERACTS WITH HYDROPHOBIC REGION FORMED BY CERTAIN ISOLEUCINE AND PHENYLALANINE RESIDUES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-10-22 — — US disclosed
EP-1226121-A1 METHOD OF INHIBITING NEUROTROPHIN-RECEPTOR BINDING QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-07-31 — — EP disclosed
WO-2000069829-A1 METHOD OF INHIBITING NEUROTROPHIN-RECEPTOR BINDING QUEEN'S UNIVERSITY (CA) 2000-11-23 — — 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 (3 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-20090215814-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF CA9 3655/4885CA12 2567/4885CA1 1178/4885
US-20070078137-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF CA9 3655/4885CA12 2567/4885CA1 1178/4885
US-20030186901-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF CA9 4005/4885CA12 2650/4885CA1 1142/4885

“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.

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