SCHEMBL2030582

SCHEMBL2030582

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCCC(C)=O)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 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.54
▸ CTSS P25774 3/20 0.54
▸ CTSK P43235 3/20 0.54
▸ CTSH P09668 1/20 0.54
▸ RAMP3 O60896 3/20 0.53
▸ CALCR P30988 3/20 0.53
▸ F2 P00734 4/20 0.53
▸ APLNR P35414 1/20 0.53
▸ C5AR1 P21730 1/20 0.53
▸ MAPK8 P45983 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ NPY5R Q15761 3/20 0.52
▸ NPY1R P25929 2/20 0.52
▸ NPY4R P50391 2/20 0.52
▸ EPHA2 P29317 2/20 0.52
▸ NTSR2 O95665 1/20 0.50
▸ NTSR1 P30989 1/20 0.50

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
SCHEMBL2034640 0.89 CTSL (0.49) CTSLCTSSCTSKCTSHRAMP3
SCHEMBL29634905 0.88 AGTR1 (0.56) F2C5AR1EPHA2NTSR2NTSR1
SCHEMBL30230103 0.88 C5AR1 (0.50) CTSLCTSSCTSKCTSHRAMP3
SCHEMBL29429586 0.87 NTSR1 (0.56) C5AR1EPHA2NTSR2NTSR1
SCHEMBL30082469 0.87 C5AR1 (0.54) F2APLNRC5AR1EPHA2NTSR2
SCHEMBL18699898 0.86 AGTR1 (0.56) F2APLNRC5AR1EPHA2NTSR2
SCHEMBL18699899 0.86 AGTR1 (0.56) F2APLNRC5AR1EPHA2NTSR2
SCHEMBL30116695 0.86 C5AR1 (0.57) APLNRC5AR1NPY5RNPY1RNPY4R
Trv-120027 SCHEMBL17274209 0.85 AGTR1 (0.60) F2APLNRC5AR1EPHA2NTSR2
Trv-120027 SCHEMBL11023969 0.85 AGTR1 (0.60) F2APLNRC5AR1EPHA2NTSR2

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 4 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
WO-2007112451-A2 COVALENT CONJUGATES BETWEEN ENDOPEROXIDES AND TRANSFERRIN AND LACTOFERRIN RECEPTOR-BINDING AGENTS UNIVERSITY OF WASHINGTON (US) 2007-10-04 — — 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 (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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