SCHEMBL29947289

SCHEMBL29947289

CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CS)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
PTGS2 P35354 1/20 0.49
THPO P40225 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT5 Q9NXA8 2/20 0.43
GNPAT O15228 2/20 0.43
MME P08473 1/20 0.41
ACE P12821 1/20 0.40
NPY4R P50391 9/20 0.38
NPY1R P25929 7/20 0.38
NPY2R P49146 5/20 0.38
NPY5R Q15761 5/20 0.38

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
SCHEMBL29947102 0.95 SMN1; SMN2 (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29947066 0.95 SMN1; SMN2 (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29947121 0.95 SMN1; SMN2 (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29947100 0.95 SMN1; SMN2 (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29947125 0.95 SMN1; SMN2 (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29947174 0.92 SMN1; SMN2 (0.53) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6756643 0.90 SMN1; SMN2 (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL30264744 0.90 NPY4R (0.48) MMEACENPY4RNPY1RNPY2R
SCHEMBL31688041 0.89 SIRT6 (0.56) SMN1; SMN2SIRT6SIRT1SIRT5GNPAT
SCHEMBL29947294 0.89 NPY4R (0.49) KDM4EMAPTTHRBALOX15NFKB1

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-12365706-B2 Macrocyclic peptides as potent inhibitors of K-RAS G12D mutant MERCK SHARP & DOHME LLC (US) 2025-07-22 US disclosed
US-20230083431-A1 MACROCYCLIC PEPTIDES AS POTENT INHIBITORS OF K-RAS G12D MUTANT MERCK SHARP & DOHME LLC (US) 2023-03-16 US disclosed
EP-4076493-A1 MACROCYCLIC PEPTIDES AS POTENT INHIBITORS OF K-RAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2022-10-26 EP 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-12365706-B2 Macrocyclic peptides as potent inhibitors of K-RAS G12D mutant KRAS, NRAS, HRAS KDM4E 2472/4885MAPT 4728/4885THRB 3959/4885
US-20230083431-A1 MACROCYCLIC PEPTIDES AS POTENT INHIBITORS OF K-RAS G12D MUTANT KRAS, NRAS, HRAS KDM4E 2472/4885MAPT 4728/4885THRB 3959/4885

“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.