SCHEMBL5987635

SCHEMBL5987635

CCC(=O)OC(C)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
GALR3 O60755 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 3/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPV1 Q8NER1 1/20 0.33
PRKCA P17252 2/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL7603104 1.00 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5987683 1.00 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6300032 0.90 CYP2C19 (0.41) TSHRBLMMEN1CYP2C19RECQL
SCHEMBL15635387 0.83 LMNA (0.43) TSHRMAPTMEN1CYP2C19RECQL
SCHEMBL15635406 0.83 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL13077107 0.82 ALDH1A1 (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL987906 0.82 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL27743278 0.80 CYP2C19 (0.38) TSHRBLMMEN1CYP2C19RECQL
SCHEMBL9747539 0.79 TSHR (0.59) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL3834507 0.79 LMNA (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114075109-A Preparation method of flurbiprofen axetil and prepared crystal form 北京泰德制药股份有限公司 2022-02-22 CN disclosed
CN-113636933-A Method for purifying flurbiprofen axetil 北京泰德制药股份有限公司 2021-11-12 CN disclosed
US-9783531-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-10 US disclosed
US-20160311813-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-27 US disclosed
US-20160235866-A1 MRI CONTRAST AGENTS FOR CELL LABELING THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-08-18 US disclosed
US-20160235866-A1 MRI CONTRAST AGENTS FOR CELL LABELING THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-08-18 US disclosed
WO-2015048912-A1 MRI CONTRAST AGENTS FOR CELL LABELING THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-04-09 WO disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO disclosed
US-7601728-B2 Bicyclic pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-10-13 US disclosed
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-07-30 US disclosed
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-06-11 US disclosed
US-20080318922-A1 Bicyclic Pyrrole Derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-25 US disclosed
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 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 (7 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-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections BPGM, PSPH, PGLS TSHR 4446/4885CHRM2 4881/4885CHRM4 4812/4885
US-20080318922-A1 Bicyclic Pyrrole Derivatives DPP4, DPP7, DPP3 TSHR 451/4885CHRM2 299/4885CHRM4 942/4885
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 TSHR 483/4885CHRM2 206/4885CHRM4 664/4885
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 TSHR 483/4885CHRM2 206/4885CHRM4 664/4885
US-20160235866-A1 MRI CONTRAST AGENTS FOR CELL LABELING MPI, HMBS, TSPO TSHR 3333/4885CHRM2 2699/4885CHRM4 3005/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 TSHR 1316/4885CHRM2 171/4885CHRM4 450/4885
US-20160311813-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, TYRO3, BTK TSHR 388/4885CHRM2 1867/4885CHRM4 2146/4885

“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.