SCHEMBL29520158

SCHEMBL29520158

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.61
▸ ABCC2 Q92887 1/20 0.56
▸ GNRHR P30968 1/20 0.56
▸ CXCR4 P61073 5/20 0.54
▸ GLP1R P43220 1/20 0.53
▸ MC4R P32245 2/20 0.53
▸ MC5R P33032 2/20 0.53
▸ MC3R P41968 2/20 0.53
▸ MC1R Q01726 2/20 0.53
▸ CTSL P07711 2/20 0.53
▸ CTSS P25774 2/20 0.53
▸ CTSK P43235 2/20 0.53
▸ CTSH P09668 1/20 0.53
▸ KISS1R Q969F8 1/20 0.52
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ NPY5R Q15761 1/20 0.51
▸ PTGS1 P23219 1/20 0.51

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
SCHEMBL29391874 0.96 C5AR1 (0.59) C5AR1ABCC2GNRHRCXCR4GLP1R
Acetic Acid SCHEMBL29811007 0.96 C5AR1 (0.64) C5AR1ABCC2GNRHRCXCR4MC4R
SCHEMBL11033870 0.96 C5AR1 (0.65) C5AR1ABCC2GNRHRCXCR4MC4R
Acetic Acid SCHEMBL29810985 0.93 C5AR1 (0.64) C5AR1ABCC2GNRHRCXCR4MC4R
SCHEMBL29459900 0.93 C5AR1 (0.65) C5AR1ABCC2GNRHRCXCR4MC4R
SCHEMBL30181849 0.92 C5AR1 (0.59) C5AR1ABCC2GNRHRCXCR4GLP1R
SCHEMBL30271248 0.92 C5AR1 (0.64) C5AR1ABCC2GNRHRCXCR4GLP1R
SCHEMBL29942618 0.92 C5AR1 (0.64) C5AR1ABCC2GNRHRCXCR4GLP1R
SCHEMBL29391110 0.91 C5AR1 (0.64) C5AR1ABCC2GNRHRCXCR4MC4R
SCHEMBL34464914 0.91 GNRHR (0.60) C5AR1ABCC2GNRHRCXCR4KISS1R

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
EP-3570866-B1 NOVEL USE OF KNOWN COMPOUNDS- INTRACELLULAR INFECTIONS ISR IMMUNE SYSTEM REGULATION HOLDING AB PUBL (SE) 2023-05-10 — — EP disclosed
US-11304990-B2 Use of known compounds—intracellular infections ISR Immune System Regulation Holding AB (publ) (SE) 2022-04-19 — — 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-11304990-B2 Use of known compounds—intracellular infections NFATC1, TFEB, SQSTM1 C5AR1 2944/4885ABCC2 1413/4885GNRHR 4479/4885

“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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