SCHEMBL29477069

SCHEMBL29477069

C[C@@H](O)[C@H](N)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 3/20 0.38
▸ PDCD1LG2 Q9BQ51 2/20 0.38
▸ OPRD1 P41143 5/20 0.37
▸ OPRM1 P35372 3/20 0.37
▸ MME P08473 1/20 0.35
▸ VSIR Q9H7M9 3/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CTSC P53634 1/20 0.34
▸ CTSL P07711 1/20 0.33
▸ CTSS P25774 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
SCHEMBL29421862 0.89 NPSR1 (0.39) —
SCHEMBL31722879 0.84 GLO1 (0.44) CD274PDCD1LG2OPRD1OPRM1CTSC
SCHEMBL29526133 0.82 DPP4 (0.46) CD274PDCD1LG2OPRD1OPRM1CTSC
SCHEMBL29854499 0.82 CD274 (0.52) CD274PDCD1LG2OPRD1OPRM1MME
SCHEMBL31707394 0.82 ACE (0.44) OPRD1OPRM1MMECTSC
SCHEMBL31045832 0.82 ACE (0.44) OPRD1OPRM1MMECTSC
SCHEMBL30567419 0.81 OPRD1 (0.37) CD274PDCD1LG2OPRD1OPRM1MME
SCHEMBL31031520 0.81 ALDH1A1 (0.39) OPRD1MME
SCHEMBL29526248 0.81 DPP4 (0.48) CD274PDCD1LG2OPRD1OPRM1CTSC
SCHEMBL30894431 0.80 ACE (0.43) OPRD1OPRM1MMECTSC

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-20250018014-A1 METHOD FOR TREATING AND/OR PREVENTING REGNASE-1-RELATED DISEASE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-01-16 — — US disclosed
US-20220125891-A1 METHOD FOR TREATING AND/OR PREVENTING REGNASE-1-RELATED DISEASE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-04-28 — — 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-20250018014-A1 METHOD FOR TREATING AND/OR PREVENTING REGNASE-1-RELATED DISEASE RNASE1, IRAK1, SERBP1 CD274 4377/4885PDCD1LG2 4188/4885OPRD1 3980/4885
US-20220125891-A1 METHOD FOR TREATING AND/OR PREVENTING REGNASE-1-RELATED DISEASE RNASE1, IRAK1, SERBP1 CD274 4377/4885PDCD1LG2 4188/4885OPRD1 3980/4885

“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.

Send feedback