SCHEMBL2093644

SCHEMBL2093644

CC(C)([O])Cc1nccs1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.42
SLC6A3 Q01959 3/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.35
NOS1 P29475 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
FBP1 P09467 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ADORA2A P29274 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
SCHEMBL777769 0.83 FDPS (0.40) FDPSSLC6A3CYP2C19ALDH1A1TSHR
SCHEMBL2093647 0.79 FDPS (0.42) FDPSSLC6A3CYP2C19ALDH1A1TSHR
SCHEMBL21025343 0.78 FDPS (0.37) FDPSSLC6A3CYP2C19ALDH1A1TSHR
SCHEMBL13543933 0.78 FDPS (0.37) FDPSSLC6A3CYP2C19ALDH1A1TSHR
SCHEMBL29470115 0.77 FDPS (0.41) FDPSSLC6A3CYP2C19ALDH1A1TSHR
SCHEMBL6701445 0.76 ALDH1A1 (0.37) FDPSSLC6A3CYP2C19ALDH1A1TSHR
SCHEMBL13548386 0.74 CYP2C19 (0.44) FDPSSLC6A3CYP2C19ALDH1A1TSHR
SCHEMBL1725884 0.74 FDPS (0.40) FDPSSLC6A3CYP2C19ALDH1A1TSHR
SCHEMBL28782192 0.74 FDPS (0.40) FDPSSLC6A3CYP2C19ALDH1A1TSHR
SCHEMBL21552312 0.73 PKM (0.38) FDPSCYP2C19ALDH1A1TSHRPKM

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 FDPS 1113/4885SLC6A3 3737/4885CYP2C19 1894/4885

“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.