Sugi Predict

Sugi Predict / Compounds / SCHEMBL4494092

SCHEMBL4494092

SCHEMBL4494092

CC(C)(C)OC(=O)CNCc1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.42
▸ TCF7L2 Q9NQB0 1/20 0.42
▸ BACE1 P56817 1/20 0.39
▸ PTPRC P08575 2/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ CCNT1 O60563 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ VSIR Q9H7M9 1/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL4498038 0.92 BACE1 (0.38) CTNNB1TCF7L2BACE1S1PR1CCNT1
SCHEMBL225925 0.91 CTNNB1 (0.38) CTNNB1TCF7L2BACE1S1PR1LMNA
SCHEMBL225924 0.91 CTNNB1 (0.38) CTNNB1TCF7L2BACE1S1PR1LMNA
SCHEMBL4484691 0.91 FPR3 (0.36) CTNNB1TCF7L2PTPRCS1PR1LMNA
SCHEMBL4493172 0.90 S1PR1 (0.37) CTNNB1TCF7L2PTPRCS1PR1ALDH1A1
SCHEMBL226600 0.90 BACE1 (0.36) CTNNB1TCF7L2BACE1PTPRCS1PR1
SCHEMBL226599 0.90 BACE1 (0.36) CTNNB1TCF7L2BACE1PTPRCS1PR1
SCHEMBL226702 0.88 CTNNB1 (0.35) CTNNB1TCF7L2BACE1PTPRCS1PR1
SCHEMBL226703 0.88 CTNNB1 (0.35) CTNNB1TCF7L2BACE1PTPRCS1PR1
SCHEMBL4504168 0.88 NAMPT (0.44) CTNNB1TCF7L2BACE1NPC1POLB

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

“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.