SCHEMBL4737527

SCHEMBL4737527

CC(=O)Oc1cc(N)ccc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
KDM4E B2RXH2 7/20 0.67
HSD17B10 Q99714 4/20 0.59
HPGD P15428 3/20 0.59
USP2 O75604 2/20 0.59
CYP2C19 P33261 2/20 0.59
TDP1 Q9NUW8 3/20 0.58
PTGS2 P35354 3/20 0.58
TSHR P16473 3/20 0.58
BLM P54132 2/20 0.58
PTGS1 P23219 2/20 0.58
ESR1 P03372 2/20 0.58
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
HMGB1 P09429 1/20 0.58
GGT1 P19440 1/20 0.58
NAPRT Q6XQN6 1/20 0.58
CFD P00746 2/20 0.54
MAPT P10636 5/20 0.52
GAA P10253 3/20 0.52

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
SCHEMBL24074071 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10HPGDUSP2
SCHEMBL5604181 0.87 KDM4E (0.76) ALDH1A1KDM4EHSD17B10HPGDUSP2
SCHEMBL31618292 0.86 CFD (0.69) ALDH1A1KDM4EHSD17B10HPGDUSP2
SCHEMBL138320 0.86 CFD (0.69) ALDH1A1KDM4EHSD17B10HPGDUSP2
SCHEMBL3800839 0.85 ALDH1A1 (0.63) ALDH1A1KDM4EHSD17B10HPGDUSP2
Aspirin SCHEMBL11791031 0.84 KDM4E (0.65) ALDH1A1KDM4EHSD17B10HPGDUSP2
SCHEMBL9949353 0.84 ALDH1A1 (0.66) ALDH1A1KDM4EHSD17B10HPGDUSP2
SCHEMBL15055753 0.83 GAA (0.60) ALDH1A1KDM4EHSD17B10HPGDUSP2
Methoxymethane SCHEMBL5317565 0.83 CFD (0.65) ALDH1A1KDM4EHSD17B10HPGDUSP2
SCHEMBL9318408 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10HPGDUSP2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060110743-A1 Drug evolution: drug design at hot spots KONISHI YASUO 2006-05-25 US claimed
WO-2002095393-A2 DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2002-11-28 WO claimed
EP-0504560-A1 Preparation of anhydride-capped polyphenylene ether in a melt process GENERAL ELECTRIC COMPANY (US) 1992-09-23 EP claimed
EP-0501154-A2 Polyphenylene ether-polyamide compositions GENERAL ELECTRIC COMPANY (US) 1992-09-02 EP claimed
US-5141999-A PREPARATION OF ANHYDRIDE-CAPPED POLYPHENYLENE ETHER IN A MELT PROCESS GENERAL ELECTRIC COMPANY (US) 1992-08-25 US claimed
US-5140077-A Copolymers of an acetyl or phenyl 4-aminosalicylic acid trimellitamide-end capped polyphenylene ether and a polyamide as compatilizers for polyether/amide blends; heat and oxidation resistance GENERAL ELECTRIC COMPANY (US) 1992-08-18 US claimed
WO-2021239117-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI) , INC. (CN) 2021-12-02 WO disclosed
US-20200237801-A1 METHODS OF USING SMAD7 ANTISENSE OLIGONUCLEOTIDES BASED ON BIOMARKER EXPRESSION NOGRA PHARMA LIMITED (IE) 2020-07-30 US disclosed
US-10473669-B2 Methods for treating inflammatory bowel disease NOGRA PHARMA LIMITED (IE) 2019-11-12 US disclosed
US-20190112608-A1 METHODS OF USING SMAD7 ANTISENSE OLIGONUCLEOTIDES CELGENE CORPORATION 2019-04-18 US disclosed
EP-3355896-A2 METHODS OF USING SMAD7 ANTISENSE OLIGONUCLEOTIDES BASED ON BIOMARKER EXPRESSION Nogra Pharma Limited (IE) 2018-08-08 EP disclosed
US-20180180630-A1 METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE NOGRA PHARMA LIMITED (IE) 2018-06-28 US disclosed
CN-107405413-A Methods of using SMAD7 antisense oligonucleotides 细胞基因阿尔派第二投资有限公司 2017-11-28 CN disclosed
CN-1970531-A 4-azo salicylic acid derivative and process for producing the same and uses UNIV SHANXI MEDICAL (CN) 2007-05-30 CN disclosed
US-20060110743-A1 Drug evolution: drug design at hot spots KONISHI YASUO 2006-05-25 US disclosed
WO-2002095393-A2 DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2002-11-28 WO disclosed
EP-0504560-A1 Preparation of anhydride-capped polyphenylene ether in a melt process GENERAL ELECTRIC COMPANY (US) 1992-09-23 EP disclosed
EP-0501154-A2 Polyphenylene ether-polyamide compositions GENERAL ELECTRIC COMPANY (US) 1992-09-02 EP disclosed
US-5141999-A PREPARATION OF ANHYDRIDE-CAPPED POLYPHENYLENE ETHER IN A MELT PROCESS GENERAL ELECTRIC COMPANY (US) 1992-08-25 US disclosed
US-5140077-A Copolymers of an acetyl or phenyl 4-aminosalicylic acid trimellitamide-end capped polyphenylene ether and a polyamide as compatilizers for polyether/amide blends; heat and oxidation resistance GENERAL ELECTRIC COMPANY (US) 1992-08-18 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 (2 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-20190112608-A1 METHODS OF USING SMAD7 ANTISENSE OLIGONUCLEOTIDES SMAD3, SMAD2, SOST ALDH1A1 4038/4885KDM4E 2900/4885HSD17B10 2970/4885
US-20200237801-A1 METHODS OF USING SMAD7 ANTISENSE OLIGONUCLEOTIDES BASED ON BIOMARKER EXPRESSION SMAD3, SMAD2, SOST ALDH1A1 3968/4885KDM4E 3645/4885HSD17B10 3215/4885

“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.