SCHEMBL2034640

SCHEMBL2034640

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(C=O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.49
▸ CTSS P25774 3/20 0.49
▸ CTSK P43235 3/20 0.49
▸ CTSH P09668 1/20 0.49
▸ EPHA2 P29317 2/20 0.49
▸ NTSR1 P30989 3/20 0.48
▸ AGTR1 P30556 3/20 0.48
▸ NTSR2 O95665 2/20 0.48
▸ RAMP3 O60896 1/20 0.48
▸ CALCR P30988 1/20 0.48
▸ SORT1 Q99523 1/20 0.48
▸ AGTR2 P50052 1/20 0.47
▸ OPRM1 P35372 6/20 0.47
▸ OPRK1 P41145 6/20 0.47
▸ C5AR1 P21730 1/20 0.47

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
SCHEMBL2035184 0.92 OPRM1 (0.48) CTSLCTSSCTSKCTSHNTSR1
SCHEMBL2030582 0.89 CTSL (0.54) CTSLCTSSCTSKCTSHEPHA2
SCHEMBL29634905 0.87 AGTR1 (0.56) EPHA2NTSR1AGTR1NTSR2SORT1
SCHEMBL30230103 0.87 C5AR1 (0.50) CTSLCTSSCTSKCTSHEPHA2
SCHEMBL29429586 0.86 NTSR1 (0.56) EPHA2NTSR1AGTR1NTSR2SORT1
SCHEMBL30082469 0.86 C5AR1 (0.54) EPHA2NTSR1AGTR1NTSR2SORT1
SCHEMBL30116695 0.85 C5AR1 (0.57) EPHA2NTSR1AGTR1NTSR2SORT1
SCHEMBL30230017 0.83 OPRM1 (0.58) CTSLCTSSCTSKCTSHOPRM1
SCHEMBL11024540 0.83 AGTR1 (0.53) EPHA2NTSR1AGTR1NTSR2SORT1
SCHEMBL11024546 0.83 AGTR1 (0.53) EPHA2NTSR1AGTR1NTSR2SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169291-B2 Covalent conjugates between endoperoxides and transferrin and lactoferrin receptor-binding agents UNIVERSITY OF WASHINGTON (US) 2015-10-27 — — US disclosed
US-20110150830-A1 COVALENT CONJUGATES BETWEEN ENDOPEROXIDES AND TRANSFERRIN AND LACTOFERRIN RECEPTOR-BINDING AGENTS WASHINGTON, UNIVERSITY OF (US) 2011-06-23 — — US disclosed
US-20070231300-A1 COVALENT CONJUGATES BETWEEN ENDOPEROXIDES AND TRANSFERRIN AND LACTOFERRIN RECEPTOR-BINDING AGENTS WASHINGTON, UNIVERSITY OF (US) 2007-10-04 — — 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 (2 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-20110150830-A1 COVALENT CONJUGATES BETWEEN ENDOPEROXIDES AND TRANSFERRIN AND LACTOFERRIN RECEPTOR-BINDING AGENTS TFRC, LPO, FTH1 CTSL 497/4885CTSS 456/4885CTSK 851/4885
US-20070231300-A1 COVALENT CONJUGATES BETWEEN ENDOPEROXIDES AND TRANSFERRIN AND LACTOFERRIN RECEPTOR-BINDING AGENTS TFRC, LPO, FTH1 CTSL 497/4885CTSS 456/4885CTSK 851/4885

“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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