SCHEMBL29608623

SCHEMBL29608623

CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 7/20 0.53
▸ CXCR4 P61073 1/20 0.49
▸ ACE P12821 2/20 0.49
▸ CTSC P53634 1/20 0.49
▸ ECE1 P42892 1/20 0.48
▸ NPBWR1 P48145 2/20 0.48
▸ PRMT1 Q99873 1/20 0.48
▸ GHSR Q92847 1/20 0.47

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
SCHEMBL30092926 0.96 ACE (0.51) KISS1RACECTSCECE1NPBWR1
SCHEMBL30092954 0.96 KISS1R (0.52) KISS1RACECTSCECE1PRMT1
SCHEMBL30092902 0.96 KISS1R (0.52) KISS1RACECTSCECE1PRMT1
SCHEMBL31165840 0.93 ACE (0.54) KISS1RACECTSCECE1GHSR
SCHEMBL31165849 0.91 ACE (0.56) KISS1RACECTSCECE1GHSR
SCHEMBL31345040 0.91 KISS1R (0.56) KISS1RACEECE1NPBWR1PRMT1
SCHEMBL30750952 0.90 ERAP2 (0.53) KISS1RACECTSCECE1GHSR
SCHEMBL29732261 0.89 IL23R (0.51) KISS1RACECTSCECE1GHSR
SCHEMBL31286296 0.89 GHSR (0.57) ACENPBWR1GHSR
SCHEMBL29799990 0.89 IL23R (0.51) KISS1RACECTSCECE1GHSR

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-20220073446-A1 Antigen Delivery Vectors and Constructs ALTIMMUNE UK LIMITED (GB) 2022-03-10 — — 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-20220073446-A1 Antigen Delivery Vectors and Constructs LY96, CD74, CD69 KISS1R 4112/4885CXCR4 363/4885ACE 1068/4885

“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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