SCHEMBL4926929

SCHEMBL4926929

CC(O)C(C(N)=O)N(O)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTR2C P28335 1/20 0.44
HTR6 P50406 1/20 0.44
F2 P00734 3/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LARS1 Q9P2J5 1/20 0.43
POLB P06746 1/20 0.43
EPHX1 P07099 1/20 0.43
BCL2L1 Q07817 2/20 0.42
MCL1 Q07820 2/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
PKM P14618 3/20 0.41

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
SCHEMBL7987098 0.91 NPC1 (0.46) NPC1RAB9AHTR2CHTR6F2
SCHEMBL4928565 0.83 MMP2 (0.45) LMNAMEN1KMT2A
SCHEMBL4916977 0.79 ALDH1A1 (0.41) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL4926920 0.77 ALDH1A1 (0.47) NPC1RAB9AHTR2CHTR6F2
SCHEMBL4926951 0.74 CA2 (0.45) HTR2CLMNA
SCHEMBL20021986 0.72 HTR2C (0.56) NPC1RAB9AHTR2CHTR6LMNA
SCHEMBL7774832 0.71 NPC1 (0.57) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL4927454 0.71 F2 (0.49) NPC1RAB9AF2PRSS1PRSS2
SCHEMBL14294227 0.70 NPC1 (0.56) NPC1RAB9AHTR2CHTR6LMNA
SCHEMBL7371173 0.70 SLC1A3 (0.59) F2PRSS1PRSS2PRSS3LMNA

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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US claimed
JP-2008508348-A 2008-03-21 JP claimed
EP-1796681-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF Genmedica Therapeutics SL (ES) 2007-06-20 EP claimed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US claimed
WO-2006013209-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF GENMEDICA THERAPEUTICS SL (ES) 2006-02-09 WO claimed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 NPC1 1166/4885RAB9A 4301/4885HTR2C 2885/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 NPC1 1034/4885RAB9A 4161/4885HTR2C 2917/4885

“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.