Sugi Predict

Sugi Predict / Compounds / SCHEMBL503440

SCHEMBL503440

SCHEMBL503440

C[C@@H](Nc1cccnc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.54
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ PKM P14618 2/20 0.53
▸ CFTR P13569 1/20 0.53
▸ GOPC Q9HD26 1/20 0.53
▸ HTT P42858 2/20 0.51
▸ KDM4E B2RXH2 4/20 0.50
▸ NAMPT P43490 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HIF1A Q16665 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL44078 1.00 FDPS (0.54) FDPSNPC1RAB9APKMCFTR
SCHEMBL44077 1.00 FDPS (0.54) FDPSNPC1RAB9APKMCFTR
SCHEMBL29417369 1.00 FDPS (0.54) FDPSNPC1RAB9APKMCFTR
Hydrochloric Acid SCHEMBL2722068 0.98 FDPS (0.53) FDPSNPC1RAB9APKMCFTR
Hydrochloric Acid SCHEMBL7759084 0.98 FDPS (0.53) FDPSNPC1RAB9APKMCFTR
Hydrochloric Acid SCHEMBL2722070 0.98 FDPS (0.53) FDPSNPC1RAB9APKMCFTR
SCHEMBL10434559 0.94 KDM4E (0.49) FDPSNPC1RAB9APKMCFTR
SCHEMBL6569157 0.86 HTT (0.48) FDPSNPC1RAB9APKMCFTR
Dl-Phenylalanine SCHEMBL28957563 0.85 PKM (0.55) NPC1RAB9APKMCFTRGOPC
SCHEMBL2034426 0.85 TBXAS1 (0.48) FDPSRAB9APKMKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103145855-B Matrix metallo-proteinase inhibitor polypeptide and application thereof NANJING ANJI BIOTECHNOLOGY CO LTD 2015-04-22 — — CN claimed
CN-103145855-A Matrix metallo-proteinase inhibitor polypeptide and application thereof NANJING ANJI BIOTECHNOLOGY CO LTD 2013-06-12 — — CN claimed
US-20110212890-A1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-01 — — US claimed
US-20110118172-A1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 — — US claimed
EP-2314609-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-04-27 — — EP claimed
US-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-10 — — US claimed
EP-2277900-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-26 — — EP claimed
US-20090298765-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-03 — — US claimed
EP-2113513-A2 Metastin derivatives and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-11-04 — — EP claimed
US-20090215700-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-27 — — US claimed
EP-1427721-B1 METHOD FOR SYNTHESIS OF 5-(3-PYRIDYLMETHYLENE)-IMIDAZOLIDINE-2,4-DIONE SOLVAY (BE) 2008-01-23 — — EP claimed
EP-1758932-A2 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-03-07 — — EP claimed
US-7176223-B2 Method for synthesis of 5-(3-pyridylmethylene-)imidazolidine-2,4-dione SOLVAY S.A. (DE) 2007-02-13 — — US claimed
US-20060041143-A1 Method for synthesis of 5-(3-pyridylmethylene-)imidazolidine-2,4-dione SOLVAY S.A. (BE) 2006-02-23 — — US claimed
WO-2006001499-A2 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 — — WO claimed
US-6967253-B2 Method for synthesis of 5-(3-pyridylmethylene-)imidazolidine-2,4-dione SOLVAY (SOCIETE ANONYME) (BE) 2005-11-22 — — US claimed
US-20040242892-A1 Method for synthesis of 5-(3-pyridylmethylene-)imidazolidine-2,4-dione SOLVAY S.A. (BE) 2004-12-02 — — US claimed
EP-1427721-A1 METHOD FOR SYNTHESIS OF 5-(3-PYRIDYLMETHYLENE)-IMIDAZOLIDINE-2,4-DIONE SOLVAY (Société Anonyme) (BE) 2004-06-16 — — EP claimed
WO-2003022834-A1 METHOD FOR SYNTHESIS OF 5-(3-PYRIDYLMETHYLENE)-IMIDAZOLIDINE-2,4-DIONE SOLVAY (SOCIETE ANONYME) (BE) 2003-03-20 — — WO claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20090215700-A1 Metastin derivatives and use thereof SHBG, GNRHR, INHA FDPS 3622/4885NPC1 3562/4885RAB9A 1107/4885
US-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA FDPS 3622/4885NPC1 3562/4885RAB9A 1107/4885
US-20110118172-A1 METASTIN DERIVATIVE AND USE THEREOF GNRHR, SHBG, INHA FDPS 3610/4885NPC1 3347/4885RAB9A 900/4885
US-20090298765-A1 Metastin derivatives and use thereof GNRHR, SHBG, MEN1 FDPS 3548/4885NPC1 3800/4885RAB9A 759/4885
US-20110212890-A1 METASTIN DERIVATIVE AND USE THEREOF GNRHR, SHBG, LHCGR FDPS 4122/4885NPC1 3930/4885RAB9A 1140/4885

“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.