SCHEMBL31035944

SCHEMBL31035944

CC(C)[C@H](NC(=O)CCOCCOCCNC(=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 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 2/20 0.37
▸ FAP Q12884 2/20 0.35
▸ SSTR3 P32745 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ PTPN1 P18031 5/20 0.35
▸ FURIN P09958 2/20 0.34
▸ TLR2 O60603 2/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.33

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
SCHEMBL23880502 1.00 MAP1LC3B (0.37) MAP1LC3BFAPSSTR3HTR2APTPN1
SCHEMBL19432556 1.00 MAP1LC3B (0.37) MAP1LC3BFAPSSTR3HTR2APTPN1
SCHEMBL23880537 1.00 MAP1LC3B (0.37) MAP1LC3BFAPSSTR3HTR2APTPN1
SCHEMBL29077887 0.95 PTPN1 (0.38) MAP1LC3BFAPSSTR3PTPN1FURIN
SCHEMBL29077877 0.95 PTPN1 (0.38) MAP1LC3BFAPSSTR3PTPN1FURIN
SCHEMBL29078212 0.95 PTPN1 (0.38) MAP1LC3BFAPSSTR3PTPN1FURIN
SCHEMBL29077888 0.95 PTPN1 (0.38) MAP1LC3BFAPSSTR3PTPN1FURIN
SCHEMBL31041108 0.95 PTPN1 (0.38) MAP1LC3BFAPSSTR3PTPN1FURIN
SCHEMBL29077926 0.95 PTPN1 (0.38) MAP1LC3BFAPSSTR3PTPN1FURIN
SCHEMBL29610198 0.95 PTPN1 (0.37) MAP1LC3BFAPSSTR3HTR2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12605459-B2 Protein-drug conjugates comprising camptothecin analogs and methods of use thereof REGENERON PHARMACEUTICALS, INC. (US) 2026-04-21 — — US disclosed
US-20240252661-A1 PROTEIN-DRUG CONJUGATES COMPRISING CAMPTOTHECIN ANALOGS AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2024-08-01 — — 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 (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-20240252661-A1 PROTEIN-DRUG CONJUGATES COMPRISING CAMPTOTHECIN ANALOGS AND METHODS OF USE THEREOF TGM2, QPCT, TGM3 MAP1LC3B 2750/4885FAP 787/4885SSTR3 3844/4885
US-12605459-B2 Protein-drug conjugates comprising camptothecin analogs and methods of use thereof FOLH1, TGM2, SLC3A2 MAP1LC3B 2008/4885FAP 782/4885SSTR3 3537/4885

“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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