Sugi Predict

Sugi Predict / Compounds / SCHEMBL14746164

SCHEMBL14746164

SCHEMBL14746164

CC(C)(C)OC(=O)N1C[C@@H](NOCc2ccccc2)CC[C@@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.43
▸ ACE P12821 1/20 0.41
▸ STS P08842 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ AGTR2 P50052 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HTRA1 Q92743 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MCL1 Q07820 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
SCHEMBL14746163 1.00 KLK7 (0.43) KLK7ACESTSKMT2AL3MBTL1
SCHEMBL19419298 0.93 KLK7 (0.42) KLK7STSKMT2AL3MBTL1MEN1
SCHEMBL15629196 0.92 KLK7 (0.42) KLK7STSKMT2AL3MBTL1MEN1
SCHEMBL22543395 0.92 KLK7 (0.46) KLK7STSKMT2AL3MBTL1MEN1
SCHEMBL22543467 0.92 KLK7 (0.46) KLK7STSKMT2AL3MBTL1MEN1
SCHEMBL19423655 0.91 FKBP1A (0.49) KLK7KMT2AMEN1PARP1ABCB1
SCHEMBL14746317 0.91 KMT2A (0.41) KLK7STSKMT2AL3MBTL1MEN1
SCHEMBL16124767 0.90 KLK7 (0.41) KLK7STSKMT2AL3MBTL1MEN1
SCHEMBL17956452 0.90 KLK7 (0.40) KLK7ACESTSKMT2AMEN1
SCHEMBL24358141 0.89 MEN1 (0.44) KLK7STSKMT2AMEN1PARP1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052497-B1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE WOCKHARDT LTD (IN) 2017-06-28 — — EP disclosed
EP-2872510-B1 1,6-DIAZABICYCLO[3,2,1]OCTAN-7-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LTD (IN) 2016-11-23 — — EP disclosed
US-9499544-B2 Nitrogen containing heterocyclic compounds WOCKHARDT LIMITED (IN) 2016-11-22 — — US disclosed
EP-3052497-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE Wockhardt Limited (IN) 2016-08-10 — — EP disclosed
US-9359353-B2 Nitrogen containing compounds and their use WOCKHARDT LIMITED (IN) 2016-06-07 — — US disclosed
US-20150336957-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS WOCKHARDT LIMITED (IN) 2015-11-26 — — US disclosed
US-20150322067-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE WOCKHARDT LIMITED (IN) 2015-11-12 — — US disclosed
CN-103781787-B Nitrogenous compound and uses thereof WOCKHARDT LTD. (IN) 2015-09-23 — — CN disclosed
US-9127004-B2 Nitrogen containing heterocyclic compounds WOCKHARDT LTD. (IN) 2015-09-08 — — US disclosed
US-9115131-B2 Nitrogen containing compounds and their use WOCKHARDT LTD. (IN) 2015-08-25 — — US disclosed
US-9006230-B2 1,6-diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections WOCKHARDT LTD. (IN) 2015-04-14 — — US disclosed
US-8969567-B2 Nitrogen containing compounds and their use WOCKHARDT LTD. (IN) 2015-03-03 — — US disclosed
US-8969334-B2 Nitrogen containing compounds and their use WOCKHARDT LTD. (IN) 2015-03-03 — — US disclosed
US-20140296526-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE WOCKHARDT LIMITED (IN) 2014-10-02 — — US disclosed
US-20140288064-A1 Nitrogen containing heterocyclic compounds WOCKHARDT LIMITED (IN) 2014-09-25 — — US disclosed
US-8754102-B2 Nitrogen containing compounds and their use WOCKHARDT LTD. (IN) 2014-06-17 — — US disclosed
US-20140088070-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE WOCKHARDT LIMITED (IN) 2014-03-27 — — US disclosed
US-20140088068-A1 1,6-Diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections WOCKHARDT LIMITED (IN) 2014-03-27 — — US disclosed
WO-2013038330-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE WOCKHARDT LIMITED (IN) 2013-03-21 — — WO disclosed
WO-2013030735-A1 1,6- DIAZABICYCLO [3,2,1] OCTAN- 7 - ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2013-03-07 — — 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 (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-20140296526-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE NOS2, NOS1, NOS3 KLK7 4038/4885ACE 1376/4885STS 2080/4885
US-20140088068-A1 1,6-Diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections ODC1, AOC1, LPO KLK7 1613/4885ACE 1009/4885STS 944/4885
US-20150322067-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE NOS2, NOS1, NOS3 KLK7 4038/4885ACE 1376/4885STS 2080/4885
US-20140088070-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE NOS2, NOS1, NOS3 KLK7 4038/4885ACE 1376/4885STS 2080/4885
US-20140288064-A1 Nitrogen containing heterocyclic compounds NISCH, NQO1, NNT KLK7 4366/4885ACE 1047/4885STS 1147/4885
US-20150336957-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS NISCH, NQO1, NNT KLK7 4366/4885ACE 1047/4885STS 1147/4885

“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.