SCHEMBL4507004

SCHEMBL4507004

CC(C)(C(N)=O)N(c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2cccc(CC(=O)O)c2)cc1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 1/20 0.35
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
KDR P35968 5/20 0.32
FLT4 P35916 3/20 0.32
FLT3 P36888 3/20 0.32
NR1H4 Q96RI1 3/20 0.32
KIT P10721 1/20 0.32
HPSE Q9Y251 1/20 0.32
MAPK14 Q16539 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
LRRK2 Q5S007 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SIRT2 Q8IXJ6 2/20 0.31
CPT1A P50416 1/20 0.31

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
SCHEMBL226912 0.93 HSPH1 (0.34) SHMT1MEN1MAPTKMT2AKDR
SCHEMBL4486132 0.92 CPT1A (0.36) MAPTKDRNR1H4CA12CA1
SCHEMBL224006 0.91 BACE1 (0.33) MEN1KMT2AKDRFLT4FLT3
SCHEMBL4486009 0.90 KDR (0.35) MEN1MAPTKMT2AKDRFLT4
SCHEMBL4504431 0.87 MEN1 (0.41) MEN1MAPTKMT2AKDRFLT4
SCHEMBL4504435 0.87 MEN1 (0.41) MEN1MAPTKMT2AKDRFLT4
SCHEMBL226991 0.86 NR1H4 (0.35) KDRFLT4FLT3NR1H4KIT
SCHEMBL226518 0.85 FFAR1 (0.33) KDRFLT4FLT3NR1H4KIT
SCHEMBL4488874 0.84 NR1H4 (0.40) SHMT1MEN1MAPTKMT2ANR1H4
SCHEMBL226804 0.84 CHEK1 (0.34) MAPTKDRFLT3CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR SHMT1 1686/4885MEN1 1288/4885MAPT 545/4885

“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.