SCHEMBL5538875

SCHEMBL5538875

COc1cc2cccsc-2c1COC=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.41
ALDH1A1 P00352 6/20 0.34
HSD17B10 Q99714 5/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
MAPT P10636 5/20 0.34
MAPK1 P28482 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KDM4E B2RXH2 6/20 0.33
HPGD P15428 4/20 0.33
NPC1 O15118 3/20 0.33
TP53 P04637 3/20 0.33

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
SCHEMBL5537465 0.83 CTSA (0.30) MEN1KMT2A
SCHEMBL2096470 0.70 TLR2 (0.43) ERN1ALDH1A1HSD17B10MAPTMAPK1
SCHEMBL5539520 0.70 TP53 (0.36) ERN1KMT2AMAPK1ALOX15PTGS1
SCHEMBL2093141 0.69 ERN1 (0.49) ERN1ALDH1A1MAPK1SMN1; SMN2USP2
SCHEMBL27627631 0.66 KEAP1 (0.55) ERN1ALDH1A1MEN1KMT2AGAA
SCHEMBL2813673 0.65
SCHEMBL7002006 0.64 TUBB1 (0.38) ERN1ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL6040669 0.63 ERN1 (0.68) ERN1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL65022 0.62 IDO1 (0.58) ALDH1A1KDM4ETP53CYP3A4HTT
SCHEMBL6224788 0.61 ERN1 (0.53) ERN1ALDH1A1HSD17B10MEN1KMT2A

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
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ERN1 912/4885ALDH1A1 355/4885HSD17B10 467/4885

“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.