Sugi Predict

Sugi Predict / Compounds / SCHEMBL4504436

SCHEMBL4504436

SCHEMBL4504436

CC(C)(N)c1cccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc(CC(=O)O)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 5/20 0.40
▸ KDR P35968 1/20 0.39
▸ PPARG P37231 2/20 0.37
▸ PPARD Q03181 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ GRIK1 P39086 1/20 0.34
▸ XBP1 P17861 1/20 0.34

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
SCHEMBL4500446 0.92 NR1H4 (0.41) NR1H4KDRPPARGPPARDPPARA
SCHEMBL4497342 0.90 NR1H4 (0.40) NR1H4PPARGPPARDPPARAPTGDR2
SCHEMBL4505422 0.89 KDR (0.42) KDRBACE1HPGDRXFP1MEN1
SCHEMBL226113 0.87 BACE1 (0.47) NR1H4KDRBACE1KDM4ERXFP1
SCHEMBL226114 0.87 BACE1 (0.47) NR1H4KDRBACE1KDM4ERXFP1
SCHEMBL4501934 0.85 NR1H4 (0.38) NR1H4KDRPPARGPPARDPPARA
SCHEMBL4501927 0.85 NR1H4 (0.38) NR1H4KDRPPARGPPARDPPARA
SCHEMBL4482025 0.85 BACE1 (0.42) NR1H4BACE1KDM4ERXFP1MEN1
SCHEMBL4482028 0.85 BACE1 (0.42) NR1H4BACE1KDM4ERXFP1MEN1
SCHEMBL4504439 0.84 NR1H4 (0.38) NR1H4PPARGPPARDPPARAPTGDR2

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 NR1H4 544/4885KDR 1/4885PPARG 2785/4885

“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.