Sugi Predict

Sugi Predict / Compounds / SCHEMBL59929

SCHEMBL59929

SCHEMBL59929

C[C@@]1(COS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ CA1 P00915 6/20 0.42
▸ CA2 P00918 6/20 0.42
▸ CA9 Q16790 5/20 0.42
▸ CA12 O43570 4/20 0.42
▸ CA14 Q9ULX7 4/20 0.42
▸ CA3 P07451 3/20 0.42
▸ CA4 P22748 3/20 0.42
▸ CA6 P23280 3/20 0.42
▸ CA5A P35218 3/20 0.42
▸ CA7 P43166 3/20 0.42
▸ CA13 Q8N1Q1 3/20 0.42
▸ CA5B Q9Y2D0 3/20 0.42
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39

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
SCHEMBL12433575 1.00 ALDH1A1 (0.43) ALDH1A1HSP90AA1CA1CA2CA9
SCHEMBL58248 1.00 ALDH1A1 (0.43) ALDH1A1HSP90AA1CA1CA2CA9
SCHEMBL13279657 0.85 ALDH1A1 (0.41) ALDH1A1HSP90AA1CA1CA2CA9
SCHEMBL3153471 0.85 PRMT5 (0.60) ALDH1A1CA1CA2CA5APRMT5
SCHEMBL58849 0.85 PRMT5 (0.60) ALDH1A1CA1CA2CA5APRMT5
SCHEMBL1949110 0.85 PRMT5 (0.60) ALDH1A1CA1CA2CA5APRMT5
SCHEMBL3807715 0.83 STAT3 (0.40) ALDH1A1CA1CA2CA9CA12
SCHEMBL3807712 0.83 STAT3 (0.40) ALDH1A1CA1CA2CA9CA12
SCHEMBL5535445 0.83 STAT3 (0.40) ALDH1A1CA1CA2CA9CA12
SCHEMBL22631923 0.81 PLCG1 (0.39) ALDH1A1CA1CA2CA9CA12

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 — — US disclosed
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 — — US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 — — US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 — — US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 — — US disclosed
EP-3252059-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE Medshine Discovery Inc. (CN) 2017-12-06 — — EP disclosed
EP-2644599-B1 Method for preparing a 2-halo-4-nitroimidazole compound OTSUKA PHARMA CO LTD (JP) 2014-12-10 — — EP disclosed
EP-2644599-A1 Method for preparing 1-substituted-4-nitroimidazole compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-02 — — EP disclosed
US-20120130082-A1 1-Substituted-4-Nitroimidazole Compound and Method for Preparing the Same OTSUKA PHARMACEUTICAL CO., LTD. 2012-05-24 — — US disclosed
US-8129544-B2 Preparation of 4-nitroimidazoles that are 2-substituted with a halo or optionally oxidized phenylthio group and 1-substituted with hydrogen, an oxiranylmethyl-, or a phenyl- group; dehalogenation, reduction, nitration, rearrangement OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-06 — — US disclosed
US-7807843-B2 1-substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-05 — — US disclosed
US-20080200689-A1 1-Substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. 2008-08-21 — — US disclosed
US-7368579-B2 1-substituted-4-nitroimidazole compound and process for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 — — US disclosed
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO. LTD. 2008-04-24 — — US disclosed
US-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-13 — — US disclosed
EP-1553088-A1 1-SUBSTITUTED 4-NITROIMIDAZOLE COMPOUND AND PROCESS FOR PRODUCING THE SAME Otsuka Pharmaceutical Company, Limited (JP) 2005-07-13 — — 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 (6 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-20120130082-A1 1-Substituted-4-Nitroimidazole Compound and Method for Preparing the Same CBR1, CBR3, DCXR ALDH1A1 836/4885HSP90AA1 2261/4885CA1 3399/4885
US-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same CBR1, CBR3, DCXR ALDH1A1 780/4885HSP90AA1 1868/4885CA1 3544/4885
US-20080200689-A1 1-Substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR ALDH1A1 836/4885HSP90AA1 2261/4885CA1 3399/4885
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE NDUFV1, NDUFV2, MT-ND4 ALDH1A1 1785/4885HSP90AA1 610/4885CA1 4876/4885
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative NDUFV1, NDUFV2, MT-ND4 ALDH1A1 1785/4885HSP90AA1 610/4885CA1 4876/4885
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR ALDH1A1 836/4885HSP90AA1 2261/4885CA1 3399/4885

“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.