SCHEMBL2097573

SCHEMBL2097573

[CH2]CCOCCCc1ccc2ccsc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
CYP2A6 P11509 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
TPSAB1 Q15661 2/20 0.32
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGER3 P43115 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
SCHEMBL2092291 0.84 CYP2A6 (0.41) SIGMAR1CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL48104 0.79 SIGMAR1 (0.51) SIGMAR1CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL48056 0.79 SIGMAR1 (0.48) SIGMAR1CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL2096731 0.79 CYP2A6 (0.37) SIGMAR1CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL2090154 0.75 SIGMAR1 (0.50) SIGMAR1CYP2A6TPSAB1
SCHEMBL27666022 0.75 SIGMAR1 (0.40) SIGMAR1CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL3790091 0.74 CASP3 (0.43) CYP2A6CASP3SENP8SENP7SENP6
SCHEMBL8058490 0.73 CYP2A6 (0.46) SIGMAR1CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL20126467 0.73 ESR1 (0.42) CYP2A6CASP3SENP8SENP7SENP6
SCHEMBL28384923 0.72 PTGS2 (0.44)

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 SIGMAR1 161/4885CYP2A6 1153/4885MRGPRX4 2959/4885

“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.