SCHEMBL31754289

SCHEMBL31754289

COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 7/20 0.57
▸ LNPEP Q9UIQ6 7/20 0.57
▸ ERAP1 Q9NZ08 3/20 0.57
▸ TSHR P16473 1/20 0.55
▸ IL1RN P18510 2/20 0.50
▸ NPY4R P50391 2/20 0.50
▸ NPY1R P25929 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ OPRK1 P41145 1/20 0.49
▸ MDM4 O15151 1/20 0.49
▸ MDM2 Q00987 1/20 0.49

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
SCHEMBL27824405 0.92 ERAP2 (0.64) ERAP2LNPEPERAP1TSHRIL1RN
SCHEMBL27824408 0.92 ERAP2 (0.64) ERAP2LNPEPERAP1TSHRIL1RN
SCHEMBL12047661 0.90 ERAP2 (0.61) ERAP2LNPEPERAP1TSHRIL1RN
SCHEMBL11359300 0.88 TSHR (0.67) ERAP2LNPEPERAP1TSHROPRK1
SCHEMBL10394119 0.88 TSHR (0.67) ERAP2LNPEPERAP1TSHROPRK1
SCHEMBL11597665 0.88 TSHR (0.67) ERAP2LNPEPERAP1TSHROPRK1
Hydrochloric Acid SCHEMBL11581442 0.86 TSHR (0.65) ERAP2LNPEPERAP1TSHROPRK1
Bromide SCHEMBL11599446 0.86 TSHR (0.65) ERAP2LNPEPERAP1TSHROPRK1
Bromide SCHEMBL11599445 0.86 TSHR (0.65) ERAP2LNPEPERAP1TSHROPRK1
Hydrochloric Acid SCHEMBL11581436 0.86 TSHR (0.65) ERAP2LNPEPERAP1TSHROPRK1

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 ERAP2 3495/4885LNPEP 967/4885ERAP1 2333/4885

“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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