SCHEMBL4494110

SCHEMBL4494110

CN(c1ccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2cccc(CC(=O)O)c2)cc1)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BACE1 P56817 9/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
GALR3 O60755 1/20 0.35
RAB9A P51151 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
CYP19A1 P11511 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
HPSE Q9Y251 1/20 0.35

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
SCHEMBL4494106 1.00 PTGDR2 (0.36) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL228442 0.92 BACE1 (0.37) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL228441 0.92 BACE1 (0.37) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4492066 0.91 RAB9A (0.41) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4492068 0.91 RAB9A (0.41) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4504435 0.90 MEN1 (0.41) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL4504431 0.90 MEN1 (0.41) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL228511 0.90 KMT2A (0.35) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL228510 0.90 KMT2A (0.35) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL224008 0.89 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ALMNATSHR

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 2 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

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 PTGDR2 1104/4885ALDH1A1 2036/4885KDM4E 1648/4885

“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.