SCHEMBL31754274

SCHEMBL31754274

NCCC[C@H](N)C(=O)N[C@@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.48
▸ GPR132 Q9UNW8 5/20 0.47
▸ MMP2 P08253 1/20 0.46
▸ CMKLR2 P46091 1/20 0.44
▸ CMKLR1 Q99788 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MME P08473 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ MMP9 P14780 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
SCHEMBL30019030 0.91 ERAP2 (0.48) FOLH1GPR132CYP3A4CYP2A6
SCHEMBL4434505 0.90 MME (0.50) FOLH1GPR132MMP2CMKLR2CMKLR1
SCHEMBL31000651 0.90 MME (0.50) FOLH1GPR132MMP2CMKLR2CMKLR1
SCHEMBL4198783 0.88 GPR132 (0.52) FOLH1GPR132CMKLR2CMKLR1MME
SCHEMBL29666227 0.87 ERAP2 (0.52) FOLH1MMP2CYP3A4
SCHEMBL29603169 0.87 NAALAD2 (0.51) FOLH1GPR132CMKLR2CMKLR1HDAC3
SCHEMBL29666302 0.86 MMP2 (0.59) MMP2MME
SCHEMBL30659504 0.86 MMP2 (0.59) MMP2MME
SCHEMBL31167351 0.85 ERAP2 (0.51) FOLH1MMP2CYP3A4
SCHEMBL29930986 0.84 ECE1 (0.51) FOLH1GPR132MMP2CMKLR2CMKLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 — — 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 (1 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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS FOLH1 1038/4885GPR132 2338/4885MMP2 2234/4885

“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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