SCHEMBL2090508

SCHEMBL2090508

CCC1(CC)CCC(CC)(CC)c2cc(CO)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.42
ESR1 P03372 3/20 0.42
PDK2 Q15119 1/20 0.35
HSD17B10 Q99714 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
CYP26A1 O43174 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32
CA12 O43570 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32

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
SCHEMBL2090382 0.79 ESR2 (0.40) ESR2ESR1PDK2CA2
SCHEMBL2095481 0.73 RXRA (0.57) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL13318274 0.73 RXRA (0.42) ESR2ESR1RXRARXRBRXRG
SCHEMBL14286010 0.73 RXRA (0.42) ESR2ESR1RXRARXRBRXRG
SCHEMBL2238564 0.73 RXRA (0.42) ESR2ESR1RXRARXRBRXRG
SCHEMBL10339561 0.68 ESR1 (0.41) ESR2ESR1PDK2RXRARXRB
SCHEMBL12491381 0.67 ESR2 (0.47) ESR2ESR1RXRARXRBRXRG
SCHEMBL2097038 0.66 ESR2 (0.52) ESR2ESR1CYP4F2CYP4A11
SCHEMBL24666242 0.66 CYP4F2 (0.39) ESR2ESR1PDK2RXRARXRB
SCHEMBL30874800 0.66 CYP4F2 (0.39) ESR2ESR1PDK2RXRARXRB

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 ESR2 338/4885ESR1 1871/4885PDK2 126/4885

“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.