SCHEMBL5543077

SCHEMBL5543077

CCC=C(O)c1cccc(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
MAPK10 P53779 1/20 0.39
F2R P25116 1/20 0.38
P2RX7 Q99572 3/20 0.38
CYP2C9 P11712 1/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
GPR139 Q6DWJ6 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TP53 P04637 1/20 0.36
PNMT P11086 1/20 0.35
ALDH1A1 P00352 1/20 0.35
JAK2 O60674 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
SCHEMBL5541848 0.86 TSHR (0.47) TSHRTAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL2094929 0.82 TSHR (0.59) TSHRTAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL16952644 0.75 TSHR (0.55) TSHRTAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL16956641 0.73 TSHR (0.64) TSHRTAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL16956594 0.71 TSHR (0.50) TSHRTAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL5536983 0.70 SMN1; SMN2 (0.50) TSHRERCC5FEN1CYP2C9ALDH1A1
SCHEMBL14604999 0.69 CES2 (0.43) TSHRERCC5FEN1TP53ALDH1A1
SCHEMBL16230454 0.69 ALDH1A1 (0.56) TSHRALDH1A1MAPT
SCHEMBL24070109 0.69 TSHR (0.48) TSHRTAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL30209733 0.69 TSHR (0.48) TSHRTAS1R3TAS1R1TAS1R2ERCC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TSHR 319/4885TAS1R3 292/4885TAS1R1 568/4885

“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.