SCHEMBL24343452

SCHEMBL24343452

Cc1c(CNc2ccc(C(=O)N[C@@H](CCCNC(=O)c3ccccc3C(=O)O)C(=O)O)cc2)ccc2nc(N)nc(N)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 7/20 0.54
▸ TYMS P04818 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41

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
SCHEMBL30947423 0.91 DHFR (0.54) DHFR
SCHEMBL10068339 0.88 DHFR (0.58) DHFR
SCHEMBL6342445 0.81 DHFR (0.62) DHFRTYMSMEN1ALDH1A1ESR1
Talotrexin SCHEMBL31476904 0.78 DHFR (0.79) DHFRTYMSMEN1ALDH1A1HPGD
Talotrexin SCHEMBL1060263 0.78 DHFR (0.79) DHFRTYMSMEN1ALDH1A1HPGD
Talotrexin SCHEMBL29376907 0.78 DHFR (0.79) DHFRTYMSMEN1ALDH1A1HPGD
Talotrexin SCHEMBL30947427 0.78 DHFR (0.79) DHFRTYMSMEN1ALDH1A1HPGD
Talotrexin SCHEMBL1060264 0.78 DHFR (0.79) DHFRTYMSMEN1ALDH1A1HPGD
Talotrexin SCHEMBL29420103 0.78 DHFR (0.78) DHFRTYMSMEN1ALDH1A1HPGD
SCHEMBL25251194 0.77 DHFR (0.46) DHFR

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-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 — — US disclosed
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 — — US disclosed
US-20220119392-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2022-04-21 — — 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-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 DHFR 1/4885TYMS 39/4885MEN1 1545/4885
US-20220119392-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 DHFR 1/4885TYMS 39/4885MEN1 1545/4885

“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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