SCHEMBL1886040

SCHEMBL1886040

CC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.47
C3AR1 Q16581 1/20 0.42
NOD1 Q9Y239 5/20 0.41
F2 P00734 1/20 0.40
GNPAT O15228 2/20 0.38
ALB P02768 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPY4R P50391 2/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
NPY5R Q15761 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
SLC6A5 Q9Y345 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36

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
SCHEMBL24860342 0.90 F2 (0.41) FOLH1F2ALBNPY4RNPY1R
SCHEMBL30413729 0.89 C3AR1 (0.52) FOLH1C3AR1NOD1F2GNPAT
SCHEMBL10314456 0.88 GNPAT (0.42) FOLH1F2GNPATNPY4RNPY1R
SCHEMBL19975767 0.87 SIRT6 (0.48) FOLH1C3AR1NOD1GNPATALB
SCHEMBL446929 0.87 FOLH1 (0.49) FOLH1C3AR1NOD1GNPATALB
SCHEMBL30526285 0.87 FOLH1 (0.49) FOLH1C3AR1NOD1GNPATALB
SCHEMBL6026003 0.87 FOLH1 (0.49) FOLH1C3AR1NOD1GNPATALB
SCHEMBL468901 0.87 FOLH1 (0.49) FOLH1C3AR1NOD1GNPATALB
SCHEMBL15757149 0.86 C3AR1 (0.42) FOLH1C3AR1NOD1GNPATNPY4R
SCHEMBL15757154 0.86 C3AR1 (0.42) FOLH1C3AR1NOD1GNPATNPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023860-B2 Pro-drugs for controlled release of biologically active compounds SIGNATURE THERAPEUTICS, INC. (US) 2015-05-05 US claimed
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids SIGNATURE THERAPEUTICS, INC. 2012-06-07 US claimed
US-20090137618-A1 PRO-DRUGS FOR CONTROLLED RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS 3I, LP 2009-05-28 US claimed
WO-2008101202-A1 N-17-ALKYLATED PRODRUGS OF OPIOIDS PHARMACOFORE, INC. (US) 2008-08-21 WO claimed
CN-116813705-A Peptide compound, application thereof and composition containing peptide compound 凯惠科技发展(上海)有限公司 2023-09-29 CN disclosed
CN-109206481-B Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2023-08-18 CN disclosed
CN-116615436-A Disulfide bond-containing polypeptide with serine protease activity inhibiting function, hybrid peptide derived from disulfide bond-containing polypeptide and application of disulfide bond-containing polypeptide 中国医学科学院药物研究所 2023-08-18 CN disclosed
CN-114573686-A Polypeptide containing disulfide bond and having serine protease activity inhibition function and application thereof 中国医学科学院药物研究所 2022-06-03 CN disclosed
US-9023860-B2 Pro-drugs for controlled release of biologically active compounds SIGNATURE THERAPEUTICS, INC. (US) 2015-05-05 US disclosed
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids SIGNATURE THERAPEUTICS, INC. 2012-06-07 US disclosed
US-20110105381-A2 Prodrugs of Peripheral Phenolic Opioid Antagonists PHARMACOFORE, INC. (US) 2011-05-05 US disclosed
US-20100267614-A1 Prodrugs of Peripheral Phenolic Opioid Antagonists PHARMACOFORE, INC. 2010-10-21 US disclosed
US-20090137618-A1 PRO-DRUGS FOR CONTROLLED RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS 3I, LP 2009-05-28 US disclosed
WO-2008101187-A2 PRO-DRUGS OF PERIPHERAL PHENOLIC OPIOID ANTAGONISTS PHARMACOFORE, INC. (US) 2008-08-21 WO disclosed
WO-2008101202-A1 N-17-ALKYLATED PRODRUGS OF OPIOIDS PHARMACOFORE, INC. (US) 2008-08-21 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-20090137618-A1 PRO-DRUGS FOR CONTROLLED RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS CRH, FURIN, PEPD FOLH1 747/4885C3AR1 2726/4885NOD1 4616/4885
US-20110105381-A2 Prodrugs of Peripheral Phenolic Opioid Antagonists OPRM1, OPRL1, OPRK1 FOLH1 1970/4885C3AR1 301/4885NOD1 1290/4885
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids OPRM1, OPRD1, OPRL1 FOLH1 2504/4885C3AR1 267/4885NOD1 3384/4885
US-20100267614-A1 Prodrugs of Peripheral Phenolic Opioid Antagonists OPRM1, OPRK1, OPRL1 FOLH1 1959/4885C3AR1 275/4885NOD1 1089/4885

“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.