SCHEMBL30288542

SCHEMBL30288542

CC(C)[C@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.42
▸ FURIN P09958 3/20 0.38
▸ MDM2 Q00987 1/20 0.36
▸ GRB2 P62993 1/20 0.35
▸ MAP1LC3B Q9GZQ8 2/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ SSTR3 P32745 1/20 0.35

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
SCHEMBL17550383 0.94 PTPN1 (0.38) PTPN1FURINMDM2SIRT5SSTR3
SCHEMBL17541276 0.94 PTPN1 (0.38) PTPN1FURINMDM2SIRT5SSTR3
SCHEMBL17541309 0.93 KLK7 (0.38) PTPN1FURINMDM2SSTR3
SCHEMBL22442662 0.93 PTPN1 (0.43) PTPN1FURINGRB2SIRT5SSTR3
SCHEMBL30361583 0.93 PTPN1 (0.43) PTPN1FURINGRB2SIRT5SSTR3
SCHEMBL22442664 0.93 PTPN1 (0.43) PTPN1FURINGRB2SIRT5SSTR3
SCHEMBL30483317 0.93 PTPN1 (0.42) PTPN1FURINMAP1LC3BSSTR3
SCHEMBL12094377 0.92 HTR2A (0.40) PTPN1FURINMAP1LC3BSIRT5SSTR3
SCHEMBL12944195 0.92 HTR2A (0.40) PTPN1FURINMAP1LC3BSIRT5SSTR3
SCHEMBL2734925 0.92 HTR2A (0.40) PTPN1FURINMAP1LC3BSIRT5SSTR3

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-20250114441-A1 POLYMERIC VACCINE FOR OPIOID ADDICTION THE JOHNS HOPKINS UNVERSITY 2025-04-10 — — US disclosed
US-20230414775-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. 2023-12-28 — — US disclosed
EP-4171653-A2 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES Regeneron Pharmaceuticals, Inc. (US) 2023-05-03 — — EP disclosed
US-20230069722-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. 2023-03-02 — — 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 (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-20230069722-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES SDCBP, TEK, TEKT1 PTPN1 1817/4885FURIN 2008/4885MDM2 4715/4885
US-20230414775-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES SDCBP, TEK, TEKT1 PTPN1 1817/4885FURIN 2008/4885MDM2 4715/4885
US-20250114441-A1 POLYMERIC VACCINE FOR OPIOID ADDICTION OPRM1, OPRK1, OPRL1 PTPN1 802/4885FURIN 1748/4885MDM2 4514/4885

“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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