SCHEMBL3453970

SCHEMBL3453970

N[C@@H](CC(=O)O)C(=O)OCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ GABRR1 P24046 2/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GRIK1 P39086 2/20 0.32
▸ SLC1A1 P43005 2/20 0.32
▸ GRIK2 Q13002 2/20 0.32
▸ GRM1 Q13255 2/20 0.32
▸ GRM2 Q14416 2/20 0.32
▸ GRM8 O00222 1/20 0.32
▸ GRM6 O15303 1/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GSR P00390 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ GRIA1 P42261 1/20 0.32
▸ GRIA2 P42262 1/20 0.32
▸ GRIA3 P42263 1/20 0.32

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
SCHEMBL30338047 0.89 SLC22A6 (0.38) GABRR1SLC22A6LMNAGRIK1SLC1A1
Phenol SCHEMBL29145997 0.85 SLC7A5 (0.41) SLC7A5LMNATDP1SMN1; SMN2
SCHEMBL14742382 0.83 TSHR (0.35) SLC7A5TSHR
SCHEMBL3337079 0.83 TSHR (0.35) SLC7A5TSHR
SCHEMBL1075213 0.81 HCAR2 (0.39) LMNAGRIK1SLC1A1GRIK2SLC1A3
SCHEMBL1075212 0.81 HCAR2 (0.39) LMNAGRIK1SLC1A1GRIK2SLC1A3
SCHEMBL25491154 0.79 SLC22A6 (0.38) GABRR1SLC22A6LMNAGRIK1SLC1A1
SCHEMBL28051778 0.79 TSHR (0.39) SLC7A5TSHRSLC1A1
SCHEMBL5424018 0.79 GRM8 (0.54) TSHRLMNAGRIK1SLC1A1GRIK2
SCHEMBL28351827 0.79 GSR (0.48) SLC7A5GRIK1SLC1A1GRIK2GRM1

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
CN-111135145-A Preparation process of polyethylene glycol micelle with high drug loading 福建齐衡科技有限公司 2020-05-12 — — CN claimed
US-20050180917-A1 Delivery of neutron capture elements for neutron capture therapy PSIMEI PHARMACEUTICALS PLC (GB) 2005-08-18 — — US claimed
EP-1471939-A1 DELIVERY OF NEUTRON CAPTURE ELEMENTS FOR NEUTRON CAPTURE THERAPY Psimei Pharmaceuticals Plc (GB) 2004-11-03 — — EP claimed
WO-2003055520-A1 DELIVERY OF NEUTRON CAPTURE ELEMENTS FOR NEUTRON CAPTURE THERAPY PSIMEI PHARMACEUTICALS PLC (GB) 2003-07-10 — — WO claimed
EP-1309369-A1 ELECTRO-POWDER Microdrug AG (CH) 2003-05-14 — — EP claimed
WO-2002011803-A1 ELECTRO-POWDER MICRODRUG AG (CH) 2002-02-14 — — WO claimed
CN-111135145-A Preparation process of polyethylene glycol micelle with high drug loading 福建齐衡科技有限公司 2020-05-12 — — CN disclosed
CN-111135145-A Preparation process of polyethylene glycol micelle with high drug loading 福建齐衡科技有限公司 2020-05-12 — — CN disclosed
EP-1773324-B1 PORPHYRIN DERIVATIVES AND THEIR USE IN PHOTON ACTIVATION THERAPY PSIMEI PHARMCEUTICALS LTD (GB) 2015-04-01 — — EP disclosed
US-7816518-B2 Porphyrin derivatives and their use in photon activation therapy PSIMEI PHARMACEUTICALS, PLC (GB) 2010-10-19 — — US disclosed
US-20080039436-A1 Porphyrin Derivatives And Their Use In Photon Activation Therapy PSIMEI PHARMACEUTICALS, PLC (GB) 2008-02-14 — — US disclosed
US-7273845-B2 Polymeric prodrugs of vancomycin ENZON PHARMACEUTICALS, INC. (US) 2007-09-25 — — US disclosed
EP-1773324-A1 PORPHYRIN DERIVATIVES AND THEIR USE IN PHOTON ACTIVATION THERAPY Psimei Pharmaceuticals Plc (GB) 2007-04-18 — — EP disclosed
US-20050031575-A1 Block copolymers POLYTHERICS LIMITIED (GB) 2005-02-10 — — US disclosed
US-20040136947-A1 vancomycin-polymer conjugate; polymer is attached to both of the vancomycin amino groups BELROSE PHARMA INC. 2004-07-15 — — US disclosed
WO-2004044224-A2 BRANCHED POLYMERIC PRODRUGS OF VANCOMYCIN ENZON PHARMACEUTICALS, INC. (US) 2004-05-27 — — WO disclosed
WO-2004044222-A2 POLYMERIC PRODRUGS OF VANCOMYCIN ENZON PHARMACEUTICALS, INC. (US) 2004-05-27 — — WO disclosed
US-6696090-B1 MICRONIZED MEDICAL POWDER ELECTROSTATICALLY CHARGED BY CORONA, INDUCTION, OR TRIBOELECTRICITY; LUNG AIRWAY OR ORAL INHALATION ADMINISTRATION OF ANTIASTHMATIC AGENT MICRODRUG AG (CH) 2004-02-24 — — US disclosed
EP-1309369-A1 ELECTRO-POWDER Microdrug AG (CH) 2003-05-14 — — EP disclosed
WO-2002011803-A1 ELECTRO-POWDER MICRODRUG AG (CH) 2002-02-14 — — 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 (3 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-20040136947-A1 vancomycin-polymer conjugate; polymer is attached to both of the vancomycin amino groups DNPEP, NPEPPS, DDOST SLC7A5 42/4885TSHR 3911/4885GABRR1 1895/4885
US-20080039436-A1 Porphyrin Derivatives And Their Use In Photon Activation Therapy PPOX, PPIF, AIFM1 SLC7A5 2567/4885TSHR 3745/4885GABRR1 4319/4885
US-20050031575-A1 Block copolymers ACSL6, F12, ACSL1 SLC7A5 257/4885TSHR 1536/4885GABRR1 2266/4885

“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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