SCHEMBL2090160

SCHEMBL2090160

FC(F)(F)Oc1ccc([S])c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.44
CES1 P23141 1/20 0.41
MAPT P10636 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
KIF11 P52732 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
FFAR4 Q5NUL3 3/20 0.38
CYP2C9 P11712 2/20 0.38
SCN5A Q14524 2/20 0.38
FFAR1 O14842 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL29894167 0.81 GPR3 (0.48) GPR3CES1MAPTAKR1C2AKR1C1
SCHEMBL8065084 0.81 GPR3 (0.48) GPR3CES1MAPTAKR1C2AKR1C1
SCHEMBL8461833 0.78 GPR3 (0.46) GPR3CES1AKR1C2AKR1C1KIF11
SCHEMBL10825618 0.78 MRGPRX4 (0.48) GPR3MRGPRX4FFAR4CYP2C9SCN5A
SCHEMBL1351195 0.76 CYP3A4 (0.45) GPR3CES1MAPTAKR1C2AKR1C1
SCHEMBL2095655 0.76 GPR3 (0.44) GPR3CES1AKR1C2AKR1C1KIF11
SCHEMBL543035 0.76 GPR3 (0.44) GPR3CES1AKR1C2AKR1C1KIF11
SCHEMBL2088714 0.76 GPR3 (0.44) GPR3CES1MAPTAKR1C2AKR1C1
SCHEMBL16840171 0.76 GPR3 (0.44) GPR3CES1MAPTAKR1C2AKR1C1
SCHEMBL2088713 0.76 GPR3 (0.44) GPR3CES1MAPTAKR1C2AKR1C1

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 5 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
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
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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 GPR3 563/4885CES1 2325/4885MAPT 4299/4885

“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.