SCHEMBL5166753

SCHEMBL5166753

Nc1cc2c3c(cc(N)cc3c1)C(=O)N(c1ccc(S(=O)(=O)O)cc1)C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 11/20 0.49
CA1 P00915 11/20 0.49
CA2 P00918 11/20 0.49
CA12 O43570 9/20 0.49
SCN2A Q99250 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.43
NPC1 O15118 2/20 0.43
CASP1 P29466 2/20 0.43
RAB9A P51151 2/20 0.43
NT5E P21589 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MPO P05164 1/20 0.42
CA4 P22748 2/20 0.42
APAF1 O14727 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5154497 0.91 CA12 (0.60) CA9CA1CA2CA12SCN2A
SCHEMBL5527165 0.85 ALDH1A1 (0.46) CA9CA1CA2CA12ALDH1A1
SCHEMBL5533607 0.80 CA12 (0.65) CA9CA1CA2CA12SCN2A
SCHEMBL14502329 0.78 CA1 (0.69) CA9CA1CA2CA12SCN2A
SCHEMBL5150616 0.77 ALDH1A1 (0.53) CA9CA1CA2CA12SCN2A
SCHEMBL481618 0.75 CA9 (0.69) CA9CA1CA2CA12SCN2A
SCHEMBL29541147 0.75 CA9 (0.69) CA9CA1CA2CA12SCN2A
SCHEMBL26763060 0.73 CA1 (0.61) CA9CA1CA2CA12SCN2A
SCHEMBL5533314 0.72 CA12 (0.79) CA9CA1CA2CA12SCN2A
SCHEMBL9468558 0.70 TSHR (0.69) CA9CA1CA2CA12SCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123514-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 US claimed
WO-2007030939-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 WO claimed
US-20070123514-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 US disclosed
US-20070123514-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 US disclosed
US-20070123514-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 US disclosed
WO-2007030939-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 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 (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-20070123514-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 CA9 3754/4885CA1 847/4885CA2 2144/4885

“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.