Sugi Predict

Sugi Predict / Compounds / SCHEMBL572230

SCHEMBL572230

SCHEMBL572230

NC(=O)[C@H]1CC[C@@H](NC(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.49
▸ MME P08473 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ EPHX1 P07099 5/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ SELL P14151 1/20 0.34
▸ SELP P16109 1/20 0.34
▸ SELE P16581 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 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
SCHEMBL482185 1.00 TSHR (0.49) TSHRMMEKDM4EPOLBEPHX2
SCHEMBL482184 1.00 TSHR (0.49) TSHRMMEKDM4EPOLBEPHX2
SCHEMBL5659137 0.89 MME (0.43) TSHRMMEKDM4EPOLBEPHX2
SCHEMBL7073774 0.89 MME (0.43) TSHRMMEKDM4EPOLBEPHX2
SCHEMBL7448778 0.89 MME (0.43) TSHRMMEKDM4EPOLBEPHX2
SCHEMBL12814592 0.89 MME (0.43) TSHRMMEKDM4EPOLBEPHX2
SCHEMBL2371712 0.89 MME (0.43) TSHRMMEKDM4EPOLBEPHX2
SCHEMBL2405013 0.89 MME (0.43) TSHRMMEKDM4EPOLBEPHX2
SCHEMBL245467 0.83 — —
SCHEMBL6658887 0.83 EPHX2 (0.50) KDM4EPOLBEPHX2MMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 — — US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 — — US disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 — — US disclosed
EP-2611784-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE Amgen, Inc (US) 2013-07-10 — — EP disclosed
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 — — WO disclosed
EP-1737857-A1 PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-01-03 — — EP disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 — — 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 (2 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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 TSHR 3348/4885MME 4669/4885KDM4E 340/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 TSHR 3348/4885MME 4669/4885KDM4E 340/4885

“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.