Sugi Predict

Sugi Predict / Compounds / SCHEMBL829966

SCHEMBL829966

SCHEMBL829966

CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ GAA P10253 3/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HTT P42858 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TDP1 Q9NUW8 3/20 0.53
▸ HTR2A P28223 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.48
▸ MITF O75030 1/20 0.48
▸ AGTR1 P30556 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ BCL9 O00512 1/20 0.47

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
SCHEMBL28577071 1.00 LMNA (0.59) LMNAMEN1KMT2AGAACYP1A2
SCHEMBL10872159 0.95 MEN1 (0.56) LMNAMEN1KMT2AGAACYP1A2
Hydrochloric Acid SCHEMBL9362711 0.94 MEN1 (0.54) LMNAMEN1KMT2AGAACYP1A2
SCHEMBL11158321 0.92 MEN1 (0.64) LMNAMEN1KMT2AGAACYP1A2
SCHEMBL12483563 0.86 LMNA (0.59) LMNAMEN1KMT2AGAAHTT
SCHEMBL9770548 0.85 LMNA (0.58) LMNAMEN1KMT2AGAAHTT
SCHEMBL11711497 0.85 MEN1 (0.54) LMNAMEN1KMT2AGAAHTT
SCHEMBL829972 0.83 KMT2A (0.64) LMNAMEN1KMT2AGAAHTT
SCHEMBL16261887 0.83 HTR2A (0.59) LMNAMEN1KMT2AGAAPKM
SCHEMBL25195539 0.83 MAOB (0.70) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112062671-B Preparation method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 苏州开元民生科技股份有限公司 2021-02-09 — — CN claimed
CN-112062671-A Preparation method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 苏州开元民生科技股份有限公司 2020-12-11 — — CN claimed
US-20200360317-A1 CARBOXYLIC ACIDS FOR TREATING/PREVENTING A SKIN DISEASE PROPONENT BIOTECH GMBH (CH) 2020-11-19 — — US claimed
US-20190160030-A1 CARBOXYLIC ACIDS FOR EARLY CHILDHOOD APPLICATION PROPONENT BIOTECH GMBH (CH) 2019-05-30 — — US claimed
US-20160250168-A1 ESTERS OF SHORT CHAINS FATTY ACIDS FOR USE IN THE TREATMENT OF IMMUNOGENIC DISORDERS PROPONENT BIOTECH GMBH (CH) 2016-09-01 — — US claimed
US-20150246015-A1 Esters of Short Chains Fatty Acids for Use in the Treatment of Immunogenic Disorders PROPONENT BIOTECH GMBH (CH) 2015-09-03 — — US claimed
EP-2903608-A1 ESTERS OF SHORT CHAINS FATTY ACIDS FOR USE IN THE TREATMENT OF IMMUNOGENIC DISORDERS Proponent Biotech GmbH (CH) 2015-08-12 — — EP claimed
WO-2014053592-A1 ESTERS OF SHORT CHAINS FATTY ACIDS FOR USE IN THE TREATMENT OF IMMUNOGENIC DISORDERS PROPONENT BIOTECH GMBH (CH) 2014-04-10 — — WO claimed
WO-2012131069-A1 SHORT CHAIN FATTY ACIDS AND THEIR DERIVATIVES FOR USE IN TREATMENT IMMUNOGENIC DISORDERS PROPONENT BIOTECH GMBH (CH) 2012-10-04 — — WO claimed
EP-1237879-A1 PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-09-11 — — EP claimed
WO-2001044204-A1 PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-06-21 — — WO claimed
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 — — US disclosed
CN-112062671-B Preparation method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 苏州开元民生科技股份有限公司 2021-02-09 — — CN disclosed
CN-112062671-B Preparation method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 苏州开元民生科技股份有限公司 2021-02-09 — — CN disclosed
CN-112062671-A Preparation method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 苏州开元民生科技股份有限公司 2020-12-11 — — CN disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 — — EP disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 — — US disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 — — WO disclosed
US-4252960-A PREEMERGENCE HERBICIDES PPG INDUSTRIES, INC. (US) 1981-02-24 — — US disclosed
US-4230480-A 3-[5-(1-(Nitrophenoxy)alkyl, alkynyl, alkenyl, or haloalkyl)-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methyl-2-imidazolidinones PPG INDUSTRIES, INC. (US) 1980-10-28 — — 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 (4 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-20160250168-A1 ESTERS OF SHORT CHAINS FATTY ACIDS FOR USE IN THE TREATMENT OF IMMUNOGENIC DISORDERS TSLP, HLA-DRB1, LTA LMNA 2997/4885MEN1 3837/4885KMT2A 2312/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT LMNA 4498/4885MEN1 4404/4885KMT2A 1886/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A LMNA 4827/4885MEN1 4729/4885KMT2A 2984/4885
US-20150246015-A1 Esters of Short Chains Fatty Acids for Use in the Treatment of Immunogenic Disorders TSLP, HLA-DRB1, LTA LMNA 2997/4885MEN1 3837/4885KMT2A 2312/4885

“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.