SCHEMBL4498038

SCHEMBL4498038

CC(C)(C)OC(=O)CCNCc1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAOB P27338 1/20 0.35
RAB9A P51151 1/20 0.35
S1PR1 P21453 4/20 0.34
ALDH1A1 P00352 2/20 0.33
DGAT2 Q96PD7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CCNA1 P78396 1/20 0.33
KDR P35968 2/20 0.33
NAMPT P43490 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL4494092 0.92 CTNNB1 (0.42) BACE1CTNNB1TCF7L2NPC1POLB
SCHEMBL3147765 0.91 LTA4H (0.36) BACE1CTNNB1TCF7L2NPC1POLB
SCHEMBL4493463 0.91 FPR2 (0.34) CTNNB1TCF7L2POLBS1PR1KDM4E
SCHEMBL4486527 0.90 SLC2A1 (0.34) NPC1POLBRAB9AKDRPDCD1
SCHEMBL3160809 0.90 OPRM1 (0.36) BACE1CTNNB1TCF7L2S1PR1NAMPT
SCHEMBL2572833 0.90 HIF1A (0.38) BACE1NPC1POLBRAB9AALDH1A1
SCHEMBL4482769 0.88 KDR (0.35) KDRNAMPTPDCD1CD274
SCHEMBL3159980 0.88 MAPT (0.43) NPC1RAB9AALDH1A1KDM4ENAMPT
SCHEMBL4504168 0.87 NAMPT (0.44) BACE1CTNNB1TCF7L2NPC1POLB
SCHEMBL225925 0.85 CTNNB1 (0.38) BACE1CTNNB1TCF7L2S1PR1MAPT

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 BACE1 1615/4885CTNNB1 802/4885TCF7L2 1688/4885

“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.