SCHEMBL4239479

SCHEMBL4239479

O=C(O)c1ccc(CN2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1

nearest known ligand 0.88

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.88
HPGD P15428 3/20 0.85
KMT2A Q03164 3/20 0.85
MEN1 O00255 1/20 0.85
CA1 P00915 3/20 0.75
CA4 P22748 3/20 0.75
CA2 P00918 2/20 0.75
CA9 Q16790 2/20 0.75
POLB P06746 2/20 0.67
ALDH1A1 P00352 2/20 0.58
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
CA12 O43570 1/20 0.57
CA7 P43166 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.57
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL20010530 0.98 KMT2A (0.88) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL3439592 0.94 ENPP2 (1.00) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL5012350 0.92 HPGD (0.78) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL5009943 0.92 HPGD (0.78) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL31667420 0.92 KMT2A (0.78) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL5010573 0.92 KMT2A (1.00) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL5010921 0.91 HPGD (0.76) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL14417945 0.88 KMT2A (0.86) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL1418395 0.87 HPGD (0.71) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL5012362 0.87 KMT2A (0.71) ENPP2HPGDKMT2AMEN1CA1

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 ENPP2 1633/4885HPGD 2364/4885KMT2A 3466/4885
US-20070078137-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF ENPP2 1633/4885HPGD 2364/4885KMT2A 3466/4885
US-20030186901-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF ENPP2 1658/4885HPGD 2303/4885KMT2A 3385/4885

“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.