SCHEMBL8847374

SCHEMBL8847374

NCCC[C@H](NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
C3AR1 Q16581 2/20 0.55
CA2 P00918 6/20 0.53
PDE4A P27815 3/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
PADI1 Q9ULC6 2/20 0.51
PADI4 Q9UM07 2/20 0.51
PADI2 Q9Y2J8 2/20 0.51
PADI6 Q6TGC4 1/20 0.51
PADI3 Q9ULW8 1/20 0.51
ERAP2 Q6P179 2/20 0.51
LNPEP Q9UIQ6 2/20 0.51
GRIN1 Q05586 2/20 0.51
GRIN2A Q12879 2/20 0.51
ERAP1 Q9NZ08 1/20 0.50
CTSB P07858 1/20 0.49
HPGDS O60760 1/20 0.49

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
SCHEMBL1980150 1.00 ITGB3 (0.57) ITGB3ITGA2BC3AR1CA2PDE4A
SCHEMBL1980652 1.00 ITGB3 (0.57) ITGB3ITGA2BC3AR1CA2PDE4A
SCHEMBL607886 0.95 ITGB3 (0.60) ITGB3ITGA2BC3AR1CA2PDE4A
SCHEMBL607885 0.95 ITGB3 (0.60) ITGB3ITGA2BC3AR1CA2PDE4A
SCHEMBL29775626 0.90 ITGB3 (0.53) ITGB3ITGA2BC3AR1CA2GRIN1
SCHEMBL7390292 0.90 ITGB3 (0.55) ITGB3ITGA2BC3AR1CA2ERAP2
SCHEMBL6810961 0.90 ITGB3 (0.55) ITGB3ITGA2BC3AR1CA2ERAP2
SCHEMBL22312697 0.90 ITGB3 (0.55) ITGB3ITGA2BC3AR1CA2ERAP2
SCHEMBL4987446 0.89 C3AR1 (0.72) ITGB3ITGA2BC3AR1CA2ERAP2
SCHEMBL27772282 0.89 C3AR1 (0.72) ITGB3ITGA2BC3AR1CA2ERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025034569-A9 STING INHIBITORS AND METHODS OF USING THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2025-05-22 WO disclosed
WO-2025034569-A2 STING INHIBITORS AND METHODS OF USING THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2025-02-13 WO disclosed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220089549-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES (PADS) AND METHODS OF PREPARATION AND USE THEREOF UNIV MASSACHUSETTS (US) 2022-03-24 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
EP-0552516-B1 Aqueous synthetic organ-extracts RIEMSCHNEIDER RANDOLPH DR DR P (DE) 1997-09-10 EP disclosed
EP-0552516-A1 Aqueous synthetic organ-extracts SCHÀœLKE & MAYR GMBH (DE) 1993-07-28 EP disclosed
WO-1993010802-A1 AQUEOUS SYNTHETIC ORGAN EXTRACTS RIEMSCHNEIDER RANDOLPH (DE) 1993-06-10 WO disclosed
EP-0543997-A1 NOVEL METHOTREXATE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-06-02 EP disclosed
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed
US-4325961-A FLUOROMETHYLHISTIDINE, ESTERS, AND SALTS MERCK & CO., INC. (US) 1982-04-20 US 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-20220089549-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES (PADS) AND METHODS OF PREPARATION AND USE THEREOF PADI2, PADI1, PADI4 ITGB3 4259/4885ITGA2B 4564/4885C3AR1 2475/4885

“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.