SCHEMBL2138531

SCHEMBL2138531

CCOC(=O)C(C)(C(=O)OCC)c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
AKR1C3 P42330 4/20 0.45
AKR1C2 P52895 4/20 0.45
PTGS1 P23219 4/20 0.44
PTGS2 P35354 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C9 P11712 2/20 0.44
FABP2 P12104 1/20 0.44
TSHR P16473 1/20 0.44
AKR1C4 P17516 1/20 0.44
ADRA2B P18089 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
AKR1C1 Q04828 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL10781077 0.95 APP (0.49) APPAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL11502322 0.93 APP (0.44) APPAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL6186134 0.88 APP (0.47) APPAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL11730443 0.88 ALDH1A1 (0.41) APPAKR1C3AKR1C2LMNAMAPT
SCHEMBL6187181 0.86 APP (0.45) APPAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL28917252 0.85 APP (0.44) APPAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL28917269 0.84 APP (0.43) APPAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL11156658 0.84 APP (0.43) APPAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL2138533 0.84 ALDH1A1 (0.48) APPMAPTHPGDPIN1GPR119
SCHEMBL8190813 0.84 AKR1C3 (0.40) APPAKR1C3AKR1C2PTGS2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57016830-A None JP disclosed
CN-117645535-A Flurbiprofen intermediate and preparation method of flurbiprofen 河北鼎泰制药有限公司 2024-03-05 CN disclosed
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP disclosed
EP-0100120-B1 IMPROVEMENT IN THE PROCESS FOR PREPARING BIARYL COMPOUNDS VIA COUPLING OF AN ARYLAMINE WITH AN ARENE Nobel Chemicals AB (SE) 1988-02-03 EP disclosed
EP-0032620-B2 Process for preparing therapeutic 2-arylpropionic acids and esters, and novel arylmethylmalonate esters THE UPJOHN COMPANY (US) 1987-02-04 EP disclosed
US-4542233-A Process for preparing biaryl compounds via coupling of an arylamine with an arene BIASCHIM S.P.A. (IT) 1985-09-17 US disclosed
EP-0032620-B1 Process for preparing therapeutic 2-arylpropionic acids and esters, and novel arylmethylmalonate esters THE UPJOHN COMPANY (US) 1984-05-30 EP disclosed
EP-0100120-A1 Improvement in the process for preparing biaryl compounds via coupling of an arylamine with an arene Nobel Chemicals AB (SE) 1984-02-08 EP disclosed
US-4398035-A INTERMEDIATE FOR FLURBIPROFEN THE UPJOHN COMPANY (US) 1983-08-09 US disclosed
US-4324904-A COMPOUND USEFUL IN MAKING FLURBIPROFEN THE UPJOHN COMPANY (US) 1982-04-13 US disclosed
JP-S5716830-A PREPARATION OF BIPHENYL DERIVATIVE SAGAMI CHEM RES CENTER 1982-01-28 JP disclosed
EP-0032620-A1 Process for preparing therapeutic 2-arylpropionic acids and esters, and novel arylmethylmalonate esters THE UPJOHN COMPANY (US) 1981-07-29 EP disclosed
US-4266069-A Processes for the preparation of hydratropic acids and esters THE UPJOHN COMPANY (US) 1981-05-05 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 (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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR APP 1198/4885AKR1C3 1037/4885AKR1C2 1014/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR APP 1198/4885AKR1C3 1037/4885AKR1C2 1014/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR APP 1198/4885AKR1C3 1037/4885AKR1C2 1014/4885

“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.