SCHEMBL5403365

SCHEMBL5403365

Cc1[nH]c(C=O)c(C)c1C(=O)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
ALOX15 P16050 2/20 0.58
FLT1 P17948 1/20 0.52
KDR P35968 1/20 0.52
GAA P10253 2/20 0.43
HTT P42858 2/20 0.42
ERN1 O75460 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13195269 0.98 TSHR (0.56) TSHRALOX15FLT1KDRGAA
SCHEMBL16466885 0.84 HPGD (0.55) TSHRALOX15GAAALDH1A1CYP3A4
SCHEMBL21915978 0.84 ALOX15 (0.63) TSHRALOX15FLT1KDRGAA
SCHEMBL5402361 0.83 HRH4 (0.40) TSHRALOX15FLT1KDRALDH1A1
SCHEMBL4405167 0.83 HRH4 (0.42) TSHRALOX15FLT1KDRGAA
SCHEMBL6220131 0.78 MEN1 (0.46) TSHRALOX15GAAHTTALDH1A1
SCHEMBL5401495 0.78 HPGD (0.48) FLT1KDRHTTERN1ALDH1A1
SCHEMBL7124274 0.77 HTT (0.43) TSHRALOX15GAAHTTERN1
SCHEMBL5403002 0.77 AKR1C3 (0.44) TSHRALOX15FLT1KDRALDH1A1
SCHEMBL7114644 0.77 KMT2A (0.36) TSHRALOX15FLT1KDRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187454-B2 Inhibitors of kinases and cancer stem cells, and methods of preparation and use thereof BOSTON BIOMEDICAL, INC. (US) 2015-11-17 US disclosed
US-9187454-B2 Inhibitors of kinases and cancer stem cells, and methods of preparation and use thereof BOSTON BIOMEDICAL, INC. (US) 2015-11-17 US disclosed
CN-104774193-A Indolone compounds as well as preparation method and medical application thereof UNIV CHINA PHARMA 2015-07-15 CN disclosed
US-20140275033-A1 INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF BOSTON BIOMEDICAL, INC. 2014-09-18 US disclosed
US-20140275033-A1 INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF BOSTON BIOMEDICAL, INC. 2014-09-18 US disclosed
US-7157577-B2 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
US-7157577-B2 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
US-7157577-B2 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
EP-1244672-B1 4-SUBSTITUTED 7-AZA-INDOLIN-2-ONES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2005-07-20 EP disclosed
US-6908930-B2 4-substituted 7-AZA-indolin-2-ones and their use as protein kinase inhibitors SUGEN, INC. (US) 2005-06-21 US disclosed
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) SUGEN, INC. 2004-12-30 US disclosed
US-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. 2004-10-14 US disclosed
US-20040053924-A1 4-Substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors SUGEN, INC. 2004-03-18 US disclosed
US-6610688-B2 For therapy of blood vessel proliferative disorders; fibrotic disorders; mesangial cell proliferative disorders; metabolic disorders; allergies; asthma; thrombosis; nervous system diseases; and cancer SUGEN, INC. 2003-08-26 US disclosed
US-20020183319-A1 4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors SUGEN, INC. 2002-12-05 US disclosed
EP-1244672-A1 4-SUBSTITUTED 7-AZA-INDOLIN-2-ONES AND THEIR USE AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2002-10-02 EP disclosed
WO-2001046196-A1 4-SUBSTITUTED 7-AZA-INDOLIN-2-ONES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-06-28 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 (5 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-20140275033-A1 INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF MAP3K1, MAP3K6, MAP3K9 TSHR 4095/4885ALOX15 4142/4885FLT1 1061/4885
US-20040053924-A1 4-Substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors CDKN1A, CSNK1A1, CDK2 TSHR 2442/4885ALOX15 4875/4885FLT1 2139/4885
US-20020183319-A1 4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors CDKN1A, CDK7, CDK2 TSHR 1192/4885ALOX15 4873/4885FLT1 1220/4885
US-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors DMPK, MAP3K20, PHKG1 TSHR 3061/4885ALOX15 3594/4885FLT1 2444/4885
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) CHEK2, CHEK1, ATM TSHR 3460/4885ALOX15 4822/4885FLT1 2186/4885

“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.