SCHEMBL22354581

SCHEMBL22354581

CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)C=N)C(=O)OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 5/20 0.52
▸ TACR3 P29371 1/20 0.52
▸ MMP9 P14780 2/20 0.50
▸ MMP8 P22894 2/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ THPO P40225 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
SCHEMBL22355217 1.00 TACR1 (0.52) TACR1TACR3MMP9MMP8MMP2
SCHEMBL24301899 0.97 TACR1 (0.54) TACR1TACR3MMP9MMP8MMP2
SCHEMBL24301264 0.96 TACR1 (0.49) TACR1TACR3MMP9MMP8MMP2
SCHEMBL24301259 0.96 ERAP2 (0.51) TACR1TACR3MMP9MMP8MMP2
SCHEMBL24301896 0.95 MAGI3 (0.52) TACR1TACR3MMP9MMP8MMP2
SCHEMBL24301900 0.95 TACR1 (0.49) TACR1TACR3MMP9MMP8MMP2
SCHEMBL24301420 0.94 ERAP2 (0.51) TACR1TACR3MMP9MMP8MMP2
SCHEMBL24301263 0.94 MMP9 (0.50) TACR1TACR3MMP9MMP8MMP2
SCHEMBL24301905 0.94 ACE (0.50) TACR1TACR3MMP9MMP8MMP2
SCHEMBL24301392 0.94 TACR1 (0.50) TACR1TACR3MMP9MMP8MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760723-B2 Method of preparing a DON prodrug from L-pyroglutamic acid DRACEN PHARMACEUTICALS, INC. (US) 2023-09-19 — — US disclosed
US-20220194898-A1 METHOD OF PREPARING A DON PRODRUG FROM L-PYROGLUTAMIC ACID DEERFIELD MANAGEMENT COMPANY, L.P. (SERIES C), AS COLLATERAL AGENT 2022-06-23 — — US disclosed
US-20220117938-A1 COMBINATON THERAPY WITH A DON PRODRUG AND AN IMMUNE CHECKPOINT INHIBITOR DRACEN PHARMACEUTICALS, INC. 2022-04-21 — — US disclosed
WO-2020167831-A1 METHOD OF PREPARING A DON PRODRUG FROM L-GLUTAMIC ACID DRACEN PHARMACEUTICALS, INC. (US) 2020-08-20 — — WO disclosed
WO-2020167829-A1 METHOD OF PREPARING A DON PRODRUG FROM L-PYROGLUTAMIC ACID DRACEN PHARMACEUTICALS, INC. (US) 2020-08-20 — — 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 (3 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-20220117938-A1 COMBINATON THERAPY WITH A DON PRODRUG AND AN IMMUNE CHECKPOINT INHIBITOR PDCD1, CD274, BID TACR1 2199/4885TACR3 1029/4885MMP9 3772/4885
US-11760723-B2 Method of preparing a DON prodrug from L-pyroglutamic acid GLS, GLS2, GLO1 TACR1 3288/4885TACR3 4109/4885MMP9 3276/4885
US-20220194898-A1 METHOD OF PREPARING A DON PRODRUG FROM L-PYROGLUTAMIC ACID GLS, GLS2, GLO1 TACR1 3288/4885TACR3 4109/4885MMP9 3276/4885

“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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