SCHEMBL536251

SCHEMBL536251

C[C@H](NC(=O)OCC#CI)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.39
MME P08473 4/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
TGFBR1 P36897 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 2/20 0.31
RAB9A P51151 1/20 0.31
ECE1 P42892 1/20 0.30
CAPN1 P07384 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9353137 0.86 TSHR (0.36) TYRALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL536267 0.83 METAP2 (0.38) TYRSMN1; SMN2TSHR
SCHEMBL9353120 0.76 EPHX1 (0.43)
SCHEMBL2181457 0.76 TYR (0.43) TYRMMEACECPA1ACE2
SCHEMBL9845864 0.75 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL9480087 0.74 CTSK (0.44) CTSLCTSBCTSSCTSKKDM4E
SCHEMBL7567259 0.74
SCHEMBL753926 0.74 TYR (0.44) TYRMMEACECPA1ACE2
SCHEMBL10513380 0.74 TYR (0.44) TYRMMEACECPA1ACE2
SCHEMBL3551870 0.74 TYR (0.44) TYRMMEACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240215572-A1 ANTIMICROBIAL PARTICLE DISPERSION MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2024-07-04 US claimed
US-20170215421-A1 BIOCIDE AGENTS LANXESS DEUTSCHLAND GMBH (DE) 2017-08-03 US claimed
EP-2779830-B1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2017-05-17 EP claimed
US-9585384-B2 Stabilization of compounds comprising iodine LANXESS DEUTSCHLAND GMBH (DE) 2017-03-07 US claimed
EP-3125688-A1 BIOCIDE AGENTS LANXESS Deutschland GmbH (DE) 2017-02-08 EP claimed
US-20160360753-A1 BIOCIDIC MICROCAPSULES LANXESS DEUTSCHLAND GMBH (DE) 2016-12-15 US claimed
US-9328065-B2 Nitrogen-containing inorganic carrier materials LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US claimed
US-9326502-B2 Stabilization of compounds containing iodine having polymers comprising nitrogen LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US claimed
WO-2015150430-A1 BIOCIDE AGENTS LANXESS DEUTSCHLAND GMBH (DE) 2015-10-08 WO claimed
EP-2926659-A1 Biocidal agent LANXESS Deutschland GmbH (DE) 2015-10-07 EP claimed
EP-2440043-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS Lanxess Deutschland GmbH (DE) 2012-04-18 EP claimed
EP-2440044-A2 INORGANIC CARRIER MATERIALS CONTAINING NITROGEN Lanxess Deutschland GmbH (DE) 2012-04-18 EP claimed
US-7943644-B2 Stabilization of iodine-containing biocides by means of special azole compounds LANXESS DEUTSCHLAND GMBH (DE) 2011-05-17 US claimed
US-20110009268-A1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2011-01-13 US claimed
WO-2011000794-A1 POLYMERS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS AND IODINE-CONTAINING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2011-01-06 WO claimed
WO-2010142790-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2010-12-16 WO claimed
WO-2010142795-A2 INORGANIC CARRIER MATERIALS CONTAINING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2010-12-16 WO claimed
EP-0490566-B1 Preparation and use of N-iodopropargyl oxycarbonyl amino acid esters and derivatives as antimicrobial agents ROHM & HAAS (US) 1994-10-12 EP claimed
US-5209930-A PREPARATION AND USE OF N-IODOPROPARGYL OXYCARBONYL AMINO ACID ESTERS AND DERIVATIVES AS ANTIMICROBIAL AGENTS ROHM AND HAAS COMPANY (US) 1993-05-11 US claimed
EP-0490566-A1 Preparation and use of N-iodopropargyl oxycarbonyl amino acid esters and derivatives as antimicrobial agents ROHM AND HAAS COMPANY (US) 1992-06-17 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 (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-20240215572-A1 ANTIMICROBIAL PARTICLE DISPERSION Q6ZSR9, PAM, ACMSD TYR 368/4885MME 2954/4885ACE 4239/4885

“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.