SCHEMBL25130445

SCHEMBL25130445

C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCCN1C(=O)C=CC1=O)[C@H](NC(=O)CCCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.41
▸ PTGS2 P35354 4/20 0.41
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ SLC6A5 Q9Y345 1/20 0.37
▸ FAAH O00519 3/20 0.37
▸ MGLL Q99685 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ MAPK1 P28482 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
SCHEMBL17347452 0.94 PTGS1 (0.44) PTGS1PTGS2SMN1; SMN2SLC6A5FAAH
SCHEMBL25413149 0.89 PTGS1 (0.52) PTGS1PTGS2SMN1; SMN2SLC6A5FAAH
SCHEMBL25413152 0.89 PTGS1 (0.52) PTGS1PTGS2SMN1; SMN2SLC6A5FAAH
SCHEMBL25331601 0.88 PTGS1 (0.49) PTGS1PTGS2SMN1; SMN2SLC6A5FAAH
SCHEMBL24983429 0.88 PTGS1 (0.49) PTGS1PTGS2SMN1; SMN2SLC6A5FAAH
SCHEMBL2561561 0.88 PTGS1 (0.49) PTGS1PTGS2FNTAFNTBSMN1; SMN2
SCHEMBL18774100 0.88 PTGS1 (0.49) PTGS1PTGS2FNTAFNTBSMN1; SMN2
SCHEMBL12285559 0.88 PTGS1 (0.49) PTGS1PTGS2FNTAFNTBSMN1; SMN2
SCHEMBL2560233 0.88 PTGS1 (0.49) PTGS1PTGS2FNTAFNTBSMN1; SMN2
SCHEMBL2560238 0.88 PTGS1 (0.49) PTGS1PTGS2FNTAFNTBSMN1; SMN2

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-20230115871-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2023-04-13 — — US disclosed
EP-3986463-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS Hangzhou Dac Biotech Co., Ltd. (CN) 2022-04-27 — — EP disclosed
CN-114040779-A Conjugates of cell binding molecules containing branched linkers and cytotoxic agents 杭州多禧生物科技有限公司 2022-02-11 — — CN 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-20230115871-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS CD2BP2, EPCAM, CD74 PTGS1 4228/4885PTGS2 4225/4885FNTA 2498/4885

“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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