SCHEMBL30880874

SCHEMBL30880874

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.61
▸ SLC6A2 P23975 1/20 0.54
▸ RAMP1 O60894 1/20 0.53
▸ CALCR P30988 4/20 0.51
▸ F2 P00734 1/20 0.51
▸ BACE1 P56817 1/20 0.51
▸ BACE2 Q9Y5Z0 1/20 0.51
▸ NPY2R P49146 5/20 0.50
▸ NPY4R P50391 5/20 0.50
▸ NPY5R Q15761 5/20 0.50
▸ NPY1R P25929 3/20 0.50
▸ NTSR2 O95665 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ SORT1 Q99523 1/20 0.50

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
SCHEMBL31688311 0.93 CALCR (0.59) CALCRLSLC6A2CALCRF2NPY2R
SCHEMBL30906521 0.92 CALCR (0.59) CALCRLCALCRF2NPY2RNPY4R
SCHEMBL30726592 0.89 CALCR (0.62) CALCRLCALCRF2NPY2RNPY4R
SCHEMBL29993925 0.88 CALCRL (0.62) CALCRLSLC6A2RAMP1F2BACE1
SCHEMBL29479825 0.88 MAPK8 (0.59) CALCRLCALCRNPY2RNPY4RNPY5R
SCHEMBL30512639 0.87 CALCRL (0.59) CALCRLSLC6A2RAMP1F2BACE1
SCHEMBL29591691 0.87 SLC6A2 (0.58) SLC6A2NTSR2NTSR1SORT1
SCHEMBL30123059 0.87 CALCRL (0.61) CALCRLSLC6A2RAMP1CALCRBACE1
SCHEMBL30880893 0.86 MAPK8 (0.54) CALCRLCALCRNPY2RNPY4RNPY5R
SCHEMBL31233779 0.86 SLC6A2 (0.66) CALCRLSLC6A2NTSR2NTSR1SORT1

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 CALCRL 2202/4885SLC6A2 4537/4885RAMP1 1844/4885

“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