SCHEMBL1088355

SCHEMBL1088355

O=C(CN1C(=O)CCC1=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ SSTR3 P32745 1/20 0.44
▸ FPR1 P21462 4/20 0.44
▸ FPR2 P25090 4/20 0.44
▸ FKBP4 Q02790 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MMP2 P08253 3/20 0.42

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
SCHEMBL31098846 0.82 FKBP4 (0.51) MEN1KMT2ASSTR3FPR1FPR2
SCHEMBL5674052 0.80 LMNA (0.56) MEN1KMT2AMAPT
SCHEMBL1087418 0.78 MEN1 (0.43) MEN1KMT2ASSTR3FPR1FPR2
SCHEMBL2387136 0.78 SSTR3 (0.57) MEN1KMT2ASSTR3FPR1FPR2
SCHEMBL27355181 0.78 SSTR3 (0.57) MEN1KMT2ASSTR3FPR1FPR2
SCHEMBL10440798 0.78 SSTR3 (0.56) MEN1KMT2ASSTR3MAPTSMN1; SMN2
SCHEMBL9680449 0.77 FKBP4 (0.55) MEN1KMT2ASSTR3FPR1FPR2
SCHEMBL8909746 0.76 MEN1 (0.54) MEN1KMT2ASSTR3FPR1FPR2
SCHEMBL28183355 0.76 MEN1 (0.56) MEN1KMT2ASSTR3FKBP4SMN1; SMN2
SCHEMBL3218655 0.75 KMT2A (0.68) MEN1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101457218-A Polylactic acid degrading enzyme with protein degrading activity UNIV SHANDONG (CN) 2009-06-17 — — CN claimed
US-9644194-B2 Cold-adapted protease derived from Pseudoalteromonas arctica PAMC 21717 and uses thereof KOREA INSTITUTE OF OCEAN SCIENCE & TECHNOLOGY (KR) 2017-05-09 — — US disclosed
US-9574185-B2 Cold-adapted protease derived from Pseudoalteromonas arctica PAMC 21717 and uses thereof KOREA INSTITUTE OF OCEAN SCIENCE & TECHNOLOGY (KR) 2017-02-21 — — US disclosed
US-8153413-B2 High alkaline protease and use thereof JAPAN AGENCY FOR MARINE-EARTH SCIENCE AND TECHNOLOGY (JP) 2012-04-10 — — US disclosed
US-20110124569-A1 MACROCYCLIC COMPOUNDS, PROTEASE INHIBITION, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-05-26 — — US disclosed
US-20110045570-A1 NOVEL HIGH ALKALINE PROTEASE AND USE THEREOF JAPAN AGENCY FOR MARINE-EARTH SCIENCE AND TECH. (JP) 2011-02-24 — — US disclosed
CN-101457218-A Polylactic acid degrading enzyme with protein degrading activity UNIV SHANDONG (CN) 2009-06-17 — — CN disclosed
WO-2009032349-A1 MACROCYCLIC COMPOUNDS, PROTEASE INHIBITION, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2009-03-12 — — 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-20110124569-A1 MACROCYCLIC COMPOUNDS, PROTEASE INHIBITION, AND METHODS OF TREATMENT PREP, SERPINB1, CTSC MEN1 3548/4885KMT2A 2276/4885SSTR3 2180/4885

“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.

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