SCHEMBL4896293

SCHEMBL4896293

C[C@@H](CC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.59
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MMP9 P14780 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CDC25B P30305 1/20 0.48
CA12 O43570 1/20 0.47
TSHR P16473 1/20 0.46
ABCB1 P08183 1/20 0.46
LMNA P02545 2/20 0.45
HCAR2 Q8TDS4 1/20 0.45
ATM Q13315 1/20 0.44

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
SCHEMBL12369646 1.00 SLC15A1 (0.59) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL4900863 1.00 SLC15A1 (0.59) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL9636201 0.90 ALDH1A1 (0.58) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL14194794 0.88 SLC15A1 (0.58) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL4908110 0.88 ALDH1A1 (0.58) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL16379300 0.87 ALDH1A1 (0.54) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL12282025 0.87 ALDH1A1 (0.54) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL18300829 0.87 ALDH1A1 (0.56) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL111390 0.86 ALDH1A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL31558356 0.85 ALDH1A1 (0.53) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119019400-A Prodrugs of GS-441524 and medical application thereof 中国药科大学 2024-11-26 CN disclosed
WO-2023240156-A1 IONIZABLE CATIONIC LIPIDS AND LIPID NANOPARTICLES, AND METHODS OF SYNTHESIS AND USE THEREOF TIDAL THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
EP-2673281-B1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF REMPEX PHARMACEUTICALS INC (US) 2016-04-13 EP disclosed
US-8791162-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-29 US disclosed
US-8540966-B2 Contrast agents endowed with high relaxivity BRACCO IMAGING S.P.A. (IT) 2013-09-24 US disclosed
US-20120329724-A1 PEPTIDE ANALOGUES PFIZER LIMITED 2012-12-27 US disclosed
US-20120010161-A1 NOVEL AZAPEPTIDE OR AZAPEPTIDOMIMETIC COMPOUNDS INHIBITING BCRP AND/OR P-GP CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-01-12 US disclosed
US-20110256067-A1 Contrast agents endowed with high relaxivity BRACCO IMAGING SPA (IT) 2011-10-20 US disclosed
US-20110207654-A1 PEPTIDE ANALOGUES PFIZER INC. 2011-08-25 US disclosed
US-7988950-B2 Contrast agents endowed with high relaxivity for use in magnetic resonance imaging (MRI) which contain a chelating moiety with polyhydroxylated substituents BRACCO IMAGING S.P.A. (IT) 2011-08-02 US disclosed
EP-1148050-A1 Retroviral protease inhibitors MONSANTO COMPANY (US) 2001-10-24 EP disclosed
EP-0641325-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 2001-03-07 EP disclosed
US-6180646-B1 PREVENT REPRODUCTION OF RETROVIRUS MONSANTO COMPANY 2001-01-30 US disclosed
EP-0957093-A2 Retrovial protease inhibitors MONSANTO COMPANY (US) 1999-11-17 EP disclosed
US-5948790-A VIRICIDES MOSANTO COMPANY (US) 1999-09-07 US disclosed
US-5756534-A Retroviral protease inhibitors MONSANTO COMPANY (US) 1998-05-26 US disclosed
US-5648364-A HETEROCYCLIC PEPTIDE COMPOUNDS AS ENZYME INHIBITORS MONSANTO COMPANY (US) 1997-07-15 US disclosed
US-5643924-A Retroviral protease inhibitors MONSANTO COMPANY OF ST. LOUIS (US) 1997-07-01 US disclosed
EP-0641325-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1995-03-08 EP disclosed
WO-1993023379-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-11-25 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 (4 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-20110256067-A1 Contrast agents endowed with high relaxivity SLC40A1, SLC67A1, SLC19A1 SLC15A1 88/4885ALDH1A1 2186/4885MAPK1 2492/4885
US-20120010161-A1 NOVEL AZAPEPTIDE OR AZAPEPTIDOMIMETIC COMPOUNDS INHIBITING BCRP AND/OR P-GP ABCB1, ABCB11, ABCC1 SLC15A1 576/4885ALDH1A1 2049/4885MAPK1 2470/4885
US-20120329724-A1 PEPTIDE ANALOGUES OPRL1, OGFR, OPRM1 SLC15A1 870/4885ALDH1A1 2652/4885MAPK1 1895/4885
US-20110207654-A1 PEPTIDE ANALOGUES OPRL1, OGFR, OPRM1 SLC15A1 870/4885ALDH1A1 2652/4885MAPK1 1895/4885

“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.