SCHEMBL2090977

SCHEMBL2090977

Oc1ccccc1-c1cccc(Oc2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
PTPN5 P54829 1/20 0.47
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
BCL2L1 Q07817 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CETP P11597 2/20 0.41
DYRK1A Q13627 1/20 0.41
ESR2 Q92731 1/20 0.41
GPR3 P46089 1/20 0.40
P2RX1 P51575 1/20 0.40
PGR P06401 1/20 0.40
AR P10275 1/20 0.40
BTK Q06187 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
GRM5 P41594 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL2098208 0.87 THRA (0.47) THRATHRBPTPN5ADORA2AADORA1
SCHEMBL2090975 0.82 GALR1 (0.44) THRATHRBADORA2AADORA1CETP
SCHEMBL2097501 0.82 HDAC4 (0.43) THRATHRBPTPN5ALDH1A1PGR
SCHEMBL2095783 0.82 PTPN5 (0.44) THRATHRBPTPN5ALDH1A1HPGD
SCHEMBL9588245 0.80 AR (0.49) CETPP2RX1ARPTGES2MAPK14
SCHEMBL9588339 0.78 AR (0.50) CETPP2RX1ARMAPK14
SCHEMBL2096205 0.78 ALDH1A1 (0.41) THRATHRBPTPN5ALDH1A1HPGD
SCHEMBL9588170 0.78 AR (0.50) ALDH1A1CETPP2RX1ARPTGES2
SCHEMBL5670014 0.77 CETP (0.54) ALDH1A1CETPPTGES2MAPK14
SCHEMBL24315292 0.76 ADORA1 (0.48) ADORA2AADORA1DYRK1AGPR3GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 THRA 747/4885THRB 758/4885PTPN5 1483/4885

“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.