SCHEMBL2090382

SCHEMBL2090382

CCC1(CC)CCC(CC)(CC)c2cc(COC)ccc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.40
ESR1 P03372 2/20 0.40
PDK2 Q15119 1/20 0.39
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CA2 P00918 1/20 0.34
PTPN1 P18031 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
CHRNA7 P36544 1/20 0.30
MAOA P21397 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL2090508 0.79 ESR2 (0.42) ESR2ESR1PDK2CA2
SCHEMBL2090132 0.75 RXRA (0.50) PDK2
SCHEMBL12847644 0.72 PDK2 (0.35) ESR2ESR1PDK2
SCHEMBL13318274 0.70 RXRA (0.42) ESR2ESR1
SCHEMBL14286010 0.70 RXRA (0.42) ESR2ESR1TP53
SCHEMBL2238564 0.70 RXRA (0.42) ESR2ESR1TP53
SCHEMBL29871774 0.68 LMNA (0.50) PDK2LMNATP53CA2PTPN1
SCHEMBL4194127 0.68 LMNA (0.50) PDK2LMNATP53CA2PTPN1
SCHEMBL20978153 0.68 TACR1 (0.38) PDK2MAOADYRK1A
SCHEMBL2096085 0.68 ESR2 (0.50) ESR2ESR1PDK2

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 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.