SCHEMBL2095658

SCHEMBL2095658

[CH2]OC(C)c1scc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP2A6 P11509 2/20 0.33
CCR4 P51679 1/20 0.33
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL15780702 0.78 CCR4 (0.40) ALDH1A1CYP2A6CCR4TSHRHSD17B10
Ammonia Solution, Strong SCHEMBL354291 0.76 CCR4 (0.39) ALDH1A1CYP2A6CCR4TSHRHSD17B10
SCHEMBL12386887 0.72 TSHR (0.38) ALDH1A1CYP2A6CCR4TSHRHSD17B10
SCHEMBL354785 0.70 TAAR1 (0.44) ALDH1A1CYP2A6CCR4
SCHEMBL11197460 0.70 ALDH1A1 (0.33) ALDH1A1CYP2A6CCR4TSHRHSD17B10
SCHEMBL10605324 0.70 HSD17B10 (0.38) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL11190782 0.69 AKR1B1 (0.45) ALDH1A1HSD17B10TDP1
SCHEMBL5538547 0.68 CNR1 (0.41) ALDH1A1CYP2A6CCR4TSHRHSD17B10
SCHEMBL8629442 0.67 CYP2D6 (0.43) TSHR
SCHEMBL11486005 0.67 CYP2D6 (0.38) ALDH1A1TSHRHSD17B10

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 ALDH1A1 412/4885CYP2A6 1153/4885CCR4 993/4885

“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.