Sugi Predict

Sugi Predict / Compounds / SCHEMBL2090189

SCHEMBL2090189

SCHEMBL2090189

CO[CH]c1csc(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 11/20 0.55
▸ MAPT P10636 2/20 0.52
▸ SCN10A Q9Y5Y9 1/20 0.46
▸ SHMT2 P34897 1/20 0.45
▸ NTRK1 P04629 1/20 0.43
▸ DAPK1 P53355 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALOX5 P09917 1/20 0.38

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
SCHEMBL2096508 0.83 PIM1 (0.52) PIM1MAPTKDM4EPOLB
SCHEMBL9039689 0.83 MAPT (0.67) PIM1MAPTSCN10ASHMT2NTRK1
SCHEMBL2096526 0.79 MAPT (0.53) PIM1MAPTALDH1A1KDM4EPOLB
SCHEMBL9264337 0.78 SCN10A (0.54) PIM1MAPTSCN10ASHMT2KCNH2
SCHEMBL2093566 0.78 MAPT (0.51) PIM1MAPTALDH1A1KDM4ERAB9A
SCHEMBL23367875 0.75 SHMT2 (0.50) PIM1MAPTSCN10ASHMT2NTRK1
SCHEMBL2090191 0.75 SHMT2 (0.56) PIM1MAPTSCN10ASHMT2ALDH1A1
SCHEMBL9264332 0.75 SHMT2 (0.49) PIM1MAPTSCN10ASHMT2ALOX5
SCHEMBL23367910 0.74 SCN10A (0.48) PIM1MAPTSCN10ASHMT2KCNH2
SCHEMBL4777890 0.71 SHMT2 (0.58) PIM1MAPTSCN10ASHMT2ALDH1A1

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
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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 — — EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 — — WO 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 PIM1 3429/4885MAPT 4299/4885SCN10A 3928/4885

“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.