SCHEMBL935057

SCHEMBL935057

CC(C)(NC(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.53
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
P2RX7 Q99572 1/20 0.48
KCNN4 O15554 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
TACR3 P29371 1/20 0.45
VNN1 O95497 1/20 0.45

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
Hydrochloric Acid SCHEMBL4323383 0.98 SSTR4 (0.51) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL10921467 0.91 SSTR4 (0.43) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL2362106 0.88 ADAMTS4 (0.51) SSTR4MAPTKMT2ATACR3ADAMTS4
SCHEMBL10915368 0.87 GAA (0.57) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL8384935 0.86 SSTR4 (0.53) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL8446830 0.84 NPC1 (0.48) SSTR4HDAC1HDAC6MAPTKMT2A
SCHEMBL2283304 0.84 SSTR4 (0.51) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL27279094 0.84 SSTR4 (0.51) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL1694779 0.83 MAPT (0.49) SSTR4MAPTKMT2AKDM4E
SCHEMBL17924791 0.83 RXRA (0.53) HDAC8TACR3GAAADAMTS4ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715346-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2024-01-03 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3291676-B1 MITRAGYNINE ANALOGS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-08-17 EP claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
EP-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 EP claimed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP claimed
EP-3209648-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2020-03-11 EP claimed
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 EP claimed
EP-1833817-B1 SYNTHESIS OF CCR5 RECEPTOR ANTAGONISTS SCHERING CORP (US) 2010-10-13 EP claimed
WO-2009147216-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO claimed
US-20090023667-A1 Composition For Preventing Harmful Organisms MITSUI CHEMICALS, INC. (JP) 2009-01-22 US claimed
EP-2003968-A2 COMPOSITIONS AND METHODS TO ADD VALUE TO PLANT PRODUCTS, SO INCREASING THE COMMERCIAL QUALITY, RESISTANCE TO EXTERNAL FACTORS AND POLYPHENOL CONTENT THEREOF Leschot Sanhueza, Andres Antonio (CL) 2008-12-24 EP claimed
EP-1641754-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF (1R, 2S, 5S)-3- AZABICYCLO[ 3, 1, 0]HEXANE-2-CARBOXAMIDE, N- [3-AMINO -1-(CYCLOBUTYLMETHYL)-2, 3-DIOXOPROPYL] ]-3- [ (2S)- 2-[[[1, 1-DIMETHYLETHYL ]AMINO]CARBONYLA MINO ]-3, 3-DIMETHYL-1-OXOBUTYL] -6, 6-DIMETHYL SCHERING CORP (US) 2008-03-26 EP claimed
EP-1872658-A1 PESTICIDAL COMPOSITION Mitsui Chemicals, Inc. (JP) 2008-01-02 EP claimed
US-20070232495-A1 Compositions and methods to add value to plant products, increasing the commercial quality, resistance to external factors and polyphenol content thereof NAPPA ALVARO O 2007-10-04 US claimed
WO-2007110801-A2 COMPOSITIONS AND METHODS TO ADD VALUE TO PLANT PORDUCTS, INCREASING THE COMMERCIAL QUALITY, RESISTANCE TO EXTERNAL FACTORS AND POLYPHENOL CONTENT THEREOF LESCHOT SANHUEZA ANDRES ANTONI (CL) 2007-10-04 WO claimed
US-20050171064-A1 Insecticide for Acarina comprising synergistic mixture including a 4-nitroimino or 4-cyanoimino 1,3,5-oxadiazine such as 5-(2-chlorothiazol-5-ylmethyl)-3-methyl-4-nitroimino-perhydro-1,3,5-oxadiazine and another pesticide such as pirimicarb SENN ROBERT (CH) 2005-08-04 US claimed
EP-1436284-B1 SYNTHESIS OF 4- (Z)-(4-BROMOPHENYL)(ETHOXYIMINO)METHYL]-1'- 2,4-DIMETHYL-1-OXIDO-3-PYRIDINYL)CARBONYL]-4'METHYL-1,4'BIPIPERIDINE SCHERING CORP (US) 2005-08-03 EP claimed
EP-0031385-A1 PROCESS FOR PREPARING POLYMETHYLENEPOLYPHENYL POLYCARBAMATE MITSUI TOATSU CHEMICALS, Inc. (JP) 1981-07-08 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050171064-A1 Insecticide for Acarina comprising synergistic mixture including a 4-nitroimino or 4-cyanoimino 1,3,5-oxadiazine such as 5-(2-chlorothiazol-5-ylmethyl)-3-methyl-4-nitroimino-perhydro-1,3,5-oxadiazine and another pesticide such as pirimicarb CNPY2, CBR3, CNPY3 SSTR4 3865/4885HDAC3 1473/4885HDAC1 3213/4885
US-20070232495-A1 Compositions and methods to add value to plant products, increasing the commercial quality, resistance to external factors and polyphenol content thereof C5, PNN, NQO1 SSTR4 4856/4885HDAC3 2111/4885HDAC1 2632/4885
US-20090023667-A1 Composition For Preventing Harmful Organisms DDT, CBR3, AHR SSTR4 2879/4885HDAC3 337/4885HDAC1 558/4885

“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.