SCHEMBL2097588

SCHEMBL2097588

CCCCCCc1ccc(NC([O])=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 3/20 0.68
▸ THRB P10828 3/20 0.68
▸ SPHK1 Q9NYA1 12/20 0.62
▸ CA12 O43570 1/20 0.61
▸ CA1 P00915 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ S1PR1 P21453 1/20 0.61
▸ SPHK2 Q9NRA0 1/20 0.59
▸ POLB P06746 1/20 0.59

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
SCHEMBL27665915 1.00 THRA (0.68) THRATHRBSPHK1CA12CA1
SCHEMBL7735445 1.00 THRA (0.68) THRATHRBSPHK1CA12CA1
SCHEMBL2096980 0.98 THRA (0.65) THRATHRBSPHK1CA12CA1
SCHEMBL27644948 0.93 POLB (0.68) THRATHRBCA12CA1CA2
SCHEMBL15093429 0.88 CA12 (0.76) THRATHRBSPHK1CA12CA1
SCHEMBL11361435 0.88 CA12 (0.76) THRATHRBSPHK1CA12CA1
SCHEMBL11349336 0.88 CA12 (0.76) THRATHRBSPHK1CA12CA1
SCHEMBL12491077 0.88 THRA (0.69) THRATHRBSPHK1CA12CA1
SCHEMBL15093871 0.88 CA12 (0.76) THRATHRBSPHK1CA12CA1
SCHEMBL11353893 0.88 CA12 (0.76) THRATHRBSPHK1CA12CA1

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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 — — CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 — — CN 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 THRA 747/4885THRB 758/4885SPHK1 4136/4885

“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.

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