SCHEMBL2092695

SCHEMBL2092695

[CH2]CCC(=O)c1cccc(OC(F)(F)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.40
NR4A2 P43354 2/20 0.39
CTNNB1 P35222 3/20 0.38
WNT3A P56704 3/20 0.38
MAOB P27338 2/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
MRGPRX4 Q96LA9 3/20 0.36
HSD11B1 P28845 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35

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
SCHEMBL2092700 0.92 KAT6A (0.39) KAT6ANR4A2CTNNB1WNT3AMAOB
SCHEMBL2096825 0.88 KAT6A (0.42) KAT6ANR4A2MAOBERCC5FEN1
SCHEMBL2091938 0.88 KAT6A (0.50) KAT6AMRGPRX4HSD11B1TAS1R3TAS1R1
SCHEMBL2096994 0.82 NPC1 (0.39)
SCHEMBL2095017 0.80 PARP1 (0.41) KAT6ANR4A2MAOBHSD11B1TAS1R3
SCHEMBL5541493 0.80 KAT6A (0.48) KAT6AMRGPRX4HSD11B1TAS1R3TAS1R1
SCHEMBL5540733 0.79 KAT6A (0.47) KAT6AMRGPRX4HSD11B1TAS1R3TAS1R1
SCHEMBL10559975 0.79 AKR1C3 (0.56) NR4A2MRGPRX4
SCHEMBL5534911 0.78 HDAC3 (0.47) KAT6ATHRATHRBMRGPRX4TAS1R3
SCHEMBL10562151 0.77 KAT6A (0.40) KAT6ANR4A2MAOBHSD11B1TAS1R3

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 KAT6A 1973/4885NR4A2 3/4885CTNNB1 3867/4885

“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.