SCHEMBL30880882

SCHEMBL30880882

CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.55
▸ HCRTR1 O43613 1/20 0.49
▸ HCRTR2 O43614 1/20 0.49
▸ KEAP1 Q14145 1/20 0.49
▸ CXCR4 P61073 2/20 0.48
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ NPY2R P49146 7/20 0.47
▸ NPY4R P50391 7/20 0.47
▸ NPY5R Q15761 7/20 0.47
▸ NPY1R P25929 5/20 0.47
▸ EP300 Q09472 1/20 0.46
▸ HIF1A Q16665 1/20 0.46

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
SCHEMBL29867735 0.87 CALCR (0.49) CALCRHCRTR1HCRTR2KEAP1NPY2R
SCHEMBL30712934 0.86 CALCR (0.62) CALCRHCRTR1HCRTR2CXCR4MAPK8
SCHEMBL30567784 0.85 NPY2R (0.61) CALCRCXCR4MAPK8MAPK9MAPK10
SCHEMBL30574975 0.85 MAPK8 (0.47) CALCRHCRTR1HCRTR2KEAP1MAPK8
SCHEMBL29390993 0.85 F2 (0.51) CALCRCXCR4NPY2RNPY4RNPY5R
SCHEMBL31138107 0.84 MAPK8 (0.55) CALCRCXCR4MAPK8MAPK9MAPK10
SCHEMBL31507665 0.84 CALCR (0.63) CALCRCXCR4NPY2RNPY4RNPY5R
SCHEMBL30432355 0.84 CALCR (0.65) CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL30432890 0.84 NPY2R (0.53) CALCRHCRTR1HCRTR2KEAP1MAPK8
SCHEMBL31295727 0.83 CALCR (0.60) CALCRHCRTR1HCRTR2CXCR4NPY2R

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-12570729-B2 Antibody fragment based antifungal conjugate selectively targeting candida ABGENICS LIFESCIENCES PRIVATE LIMITED (IN) 2026-03-10 — — US disclosed
US-20240092878-A1 AN ANTIBODY FRAGMENT BASED ANTIFUNGAL CONJUGATE SELECTIVELY TARGETING CANDIDA ABGENICS LIFESCIENCES PRIVATE LIMITED (IN) 2024-03-21 — — 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-12570729-B2 Antibody fragment based antifungal conjugate selectively targeting candida SERPINH1, HM13, NGLY1 CALCR 3315/4885HCRTR1 2281/4885HCRTR2 2631/4885

“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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