SCHEMBL29417870

SCHEMBL29417870

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)CC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 3/20 0.48
▸ PCSK9 Q8NBP7 2/20 0.47
▸ DPP3 Q9NY33 3/20 0.46
▸ IL23R Q5VWK5 2/20 0.45
▸ F13A1 P00488 1/20 0.45
▸ TGM2 P21980 1/20 0.45
▸ CAPN1 P07384 2/20 0.43
▸ CTSB P07858 2/20 0.43
▸ CCKBR P32239 1/20 0.43
▸ KISS1R Q969F8 1/20 0.43
▸ NPY1R P25929 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ NPY4R P50391 1/20 0.42
▸ NPY5R Q15761 1/20 0.42

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
SCHEMBL30517373 1.00 CXCR4 (0.48) CXCR4PCSK9DPP3IL23RF13A1
SCHEMBL31130668 0.94 CXCR4 (0.48) CXCR4PCSK9DPP3IL23RF13A1
SCHEMBL30517370 0.90 PCSK9 (0.47) CXCR4PCSK9IL23RCCKBRKISS1R
SCHEMBL30517374 0.90 PCSK9 (0.46) CXCR4PCSK9IL23RF13A1TGM2
SCHEMBL30517411 0.90 CXCR4 (0.48) CXCR4DPP3IL23RF13A1TGM2
SCHEMBL29366452 0.87 PCSK9 (0.52) PCSK9IL23RCCKBR
SCHEMBL30517383 0.87 IL23R (0.47) CXCR4PCSK9IL23RCCKBRKISS1R
SCHEMBL30517393 0.86 CCKBR (0.46) CXCR4PCSK9IL23RCCKBR
SCHEMBL30517378 0.83 PCSK9 (0.45) CXCR4PCSK9IL23RCCKBRKISS1R
SCHEMBL30517386 0.83 CXCR4 (0.48) CXCR4DPP3IL23RF13A1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4637832-A1 CONJUGATES COMPRISING A PHOSPHORUS(V) MOIETY AND A DRUG Tubulis GmbH (DE) 2025-10-29 — — EP disclosed
US-20250281634-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY TUBULIS GMBH (DE) 2025-09-11 — — US disclosed
US-20240342296-A1 pH LOW INSERTION PEPTIDE TARGETED DELIVERY OF POTENT CYTOTOXIC COMPOUNDS YALE UNIVERSITY 2024-10-17 — — US disclosed
US-12029793-B2 pH low insertion peptide targeted delivery of potent cytotoxic compounds YALE UNIVERSITY (US) 2024-07-09 — — US disclosed
CN-118302197-A Conjugates comprising phosphorus (V) and a drug moiety TUBULIS 股份有限公司 2024-07-05 — — CN disclosed
WO-2024133845-A1 CONJUGATES COMPRISING A PHOSPHORUS(V) MOIETY AND A DRUG TUBULIS GMBH (DE) 2024-06-27 — — WO disclosed
US-20230330258-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY TUBULIS GMBH (DE) 2023-10-19 — — US disclosed
US-20220193251-A1 CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-06-23 — — US disclosed
CN-114158253-A pHLIP targeted delivery of potent cytotoxic compounds 罗德岛大学理事会 2022-03-08 — — 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 (5 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-20240342296-A1 pH LOW INSERTION PEPTIDE TARGETED DELIVERY OF POTENT CYTOTOXIC COMPOUNDS PMAIP1, SCAMP2, CHERP CXCR4 1593/4885PCSK9 1898/4885DPP3 2350/4885
US-20250281634-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY CALCR, BCR, PTH1R CXCR4 143/4885PCSK9 1094/4885DPP3 1691/4885
US-20230330258-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY CALCR, BCR, PTH1R CXCR4 143/4885PCSK9 1094/4885DPP3 1691/4885
US-12029793-B2 pH low insertion peptide targeted delivery of potent cytotoxic compounds SLC7A1, SLC47A1, VIP CXCR4 1204/4885PCSK9 1147/4885DPP3 1530/4885
US-20220193251-A1 CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF TUBB6, GALNT10, TUBB CXCR4 2923/4885PCSK9 3846/4885DPP3 1705/4885

“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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