SCHEMBL308139

SCHEMBL308139

O=C(O)CC(=O)Nc1nccs1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.63
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TP53 P04637 1/20 0.60
THRB P10828 1/20 0.60
HPGD P15428 1/20 0.60
POLB P06746 2/20 0.59
EPHX2 P34913 1/20 0.58
HSD17B10 Q99714 1/20 0.58
FFAR2 O15552 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56
GAA P10253 1/20 0.55
AURKA O14965 1/20 0.54
PIM1 P11309 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
SCHEMBL6252743 0.86 MEN1 (0.61) ACP1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL17993532 0.84 ACP1 (0.61) ACP1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL10666660 0.84 ACP1 (0.61) ACP1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL2837504 0.83 ACP1 (0.65) ACP1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL2837501 0.83 ACP1 (0.65) ACP1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL5849464 0.83 ALDH1A1 (0.66) ACP1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL14817493 0.82 ACP1 (0.59) ACP1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL7934381 0.82 ALDH1A1 (0.64) ACP1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL11312790 0.81 ACP1 (0.63) ACP1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL8868477 0.81 ACP1 (0.63) ACP1RAB9ANPC1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
EP-1957498-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING MethylGene Inc. (CA) 2008-08-20 EP disclosed
WO-2008041053-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2008-04-10 WO disclosed
WO-2008041053-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2008-04-10 WO disclosed
US-7160902-B2 Amide derivatives and methods of their use ADOLOR CORPORATION (US) 2007-01-09 US disclosed
US-7160902-B2 Amide derivatives and methods of their use ADOLOR CORPORATION (US) 2007-01-09 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
WO-2005049564-A1 AMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-06-02 WO disclosed
US-20050107355-A1 Amide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-05-19 US disclosed
EP-0141713-B1 Process for preparation of 2-substituted quinoline-3- carboxamides ROUSSEL-UCLAF (FR) 1990-05-30 EP disclosed
EP-0141713-A1 Process for preparation of 2-substituted quinoline-3- carboxamides ROUSSEL-UCLAF (FR) 1985-05-15 EP 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 ACP1 1464/4885RAB9A 2065/4885NPC1 1129/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR ACP1 3118/4885RAB9A 2568/4885NPC1 2181/4885
US-20050107355-A1 Amide derivatives and methods of their use HRH2, SLC10A2, ALPI ACP1 1975/4885RAB9A 869/4885NPC1 379/4885

“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.