SCHEMBL2089778

SCHEMBL2089778

Cc1cccc(CO[C]=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
FFAR1 O14842 2/20 0.33
CD38 P28907 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL133171 0.84 MAOB (0.45) TSHRMAOBALDH1A1
SCHEMBL10766986 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2088676 0.78 SLC22A12 (0.38) TSHRSMN1; SMN2ALDH1A1
SCHEMBL11760305 0.77 ESR1 (0.47) ESR1ESR2TRPA1ATMMAPT
SCHEMBL2931888 0.77 ESR1 (0.47) ESR1ESR2TRPA1ATMMAPT
SCHEMBL2089504 0.75 ESR1 (0.46) ESR1ESR2TRPA1ATMMAPT
SCHEMBL27416090 0.74 PDCD1 (0.38) ATMMAPTLMNAMAOBALDH1A1
SCHEMBL106500 0.74 ESR1 (0.44) ESR1ESR2TRPA1ATMMAPT
SCHEMBL6317062 0.74 ESR1 (0.41) ESR1ESR2TRPA1ATMMAPT
SCHEMBL2089501 0.74 ESR1 (0.44) ESR1ESR2TRPA1ATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976092-B1 CHEMICAL CROSSLINKERS AMICUS THERAPEUTICS INC (US) 2020-04-22 EP claimed
US-4491541-A Peptides FARMITALIA CARLO ERBA 1985-01-01 US claimed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US claimed
US-4180571-A Arylmalonamido-1-oxadethiacephalosporins SHIONOGI & CO., LTD. (JP) 1979-12-25 US claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
WO-2010036195-A1 A METHOD OF CREATING A BIOSENSOR BASED ON GOLD NANOPARTICLES ASSEMBLED ON MONOLAYERS OF A DITHIOL IN WHICH THE METHOD INVOLVES REACTING THE DITHIOL MONOLAYER WITH DITHIOTHREITOL LAYERLAB AKTIEBOLAG (SE) 2010-04-01 WO disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-4504659-A 1-Oxadethiacepham compounds SHIONOGI & CO., LTD. (JP) 1985-03-12 US disclosed
US-4478997-A 1-Oxadethiacepham compounds SHIONOGI & CO., LTD. (JP) 1984-10-23 US disclosed
US-4443598-A ANTIBIOTICS AND INTERMEDIATES SHIONOGI & CO., LTD. (JP) 1984-04-17 US disclosed
US-4366316-A FROM OXAZOLINOAZETIDINONE AND ACID SHIONOGI & CO., LTD. (JP) 1982-12-28 US disclosed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US disclosed
US-4232151-A ANTIBIOTICS SHIONOGI & CO., LTD. (JP) 1980-11-04 US disclosed
US-4201782-A BACTERICIDES SHIONOGI & CO., LTD. (JP) 1980-05-06 US disclosed
US-4159984-A METAL AND PROTON DONOR SHIONOGI & CO., LTD. (JP) 1979-07-03 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 (1 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ESR1 1871/4885ESR2 338/4885TRPA1 2870/4885

“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.