SCHEMBL13028249

SCHEMBL13028249

CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCCC1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)N[C@@H](C)C(C)=O)C(C)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.54
NTSR1 P30989 1/20 0.50
TFPI P10646 1/20 0.50
RAMP3 O60896 2/20 0.50
CALCR P30988 2/20 0.50
CXCL8 P10145 1/20 0.50
AGTR1 P30556 1/20 0.50
AGTR2 P50052 1/20 0.50
CTSD P07339 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
SCHEMBL12985531 1.00 REN (0.54) RENNTSR1TFPIRAMP3CALCR
SCHEMBL10066223 0.97 REN (0.56) RENNTSR1AGTR1AGTR2CTSD
SCHEMBL10066220 0.95 REN (0.54) RENNTSR1AGTR1AGTR2CTSD
SCHEMBL13028816 0.89 TFPI (0.62) TFPIRAMP3CALCR
SCHEMBL12984358 0.78 MC4R (0.54) TFPIRAMP3CALCR
SCHEMBL14096140 0.78 RAMP3 (0.60) TFPIRAMP3CALCR
SCHEMBL29399621 0.77 REN (0.67) RENAGTR1AGTR2
SCHEMBL30576969 0.77 BACE1 (0.54) RENNTSR1CALCRAGTR1AGTR2
SCHEMBL13028975 0.77 RAMP3 (0.65) TFPIRAMP3CALCR
SCHEMBL10066203 0.76 RAMP3 (0.60) RENTFPIRAMP3CALCR

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-20100316563-A1 Method For The Preparation Of New Oligoclonal Antibodies BRACCO IMAGING S.P.A. (IT) 2010-12-16 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-20100316563-A1 Method For The Preparation Of New Oligoclonal Antibodies APOB, APOL1, FCGR3B REN 2843/4885NTSR1 4161/4885TFPI 2758/4885

“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.