SCHEMBL22198564

SCHEMBL22198564

CC(N)C(=O)NC1CSCc2cc3cc(c2)CSCC(NC(=O)C(C)NC(=O)C(Cc2cccc4ccccc24)NC(=O)C(CCC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(C)NC1=O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(=O)O)C(=O)NC(C(C)(C)C)C(=O)NC(C(N)=O)CSC3

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSG P08311 3/20 0.59
EPHA2 P29317 2/20 0.57
PLAU P00749 4/20 0.57
OPRK1 P41145 2/20 0.54
KLKB1 P03952 7/20 0.53
PLG P00747 1/20 0.53
LDLR P01130 1/20 0.50
PCSK9 Q8NBP7 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
SCHEMBL20756513 1.00 CTSG (0.59) CTSGEPHA2PLAUOPRK1KLKB1
SCHEMBL20756136 0.96 CTSG (0.55) CTSGEPHA2PLAUOPRK1KLKB1
SCHEMBL20756692 0.96 CTSG (0.56) CTSGEPHA2PLAUOPRK1KLKB1
SCHEMBL20756630 0.95 KLKB1 (0.55) CTSGEPHA2PLAUKLKB1PLG
SCHEMBL21959057 0.95 CTSG (0.54) CTSGEPHA2PLAUOPRK1KLKB1
SCHEMBL24245867 0.94 OPRK1 (0.53) CTSGEPHA2PLAUOPRK1KLKB1
SCHEMBL20756148 0.94 KLKB1 (0.54) CTSGEPHA2PLAUKLKB1PLG
SCHEMBL20756327 0.94 KLKB1 (0.54) CTSGEPHA2PLAUKLKB1PLG
SCHEMBL20763401 0.94 KLKB1 (0.55) CTSGEPHA2PLAUKLKB1PLG
SCHEMBL20763007 0.94 CTSG (0.52) CTSGEPHA2PLAUOPRK1KLKB1

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-20200215199-A1 COMPOUNDS FOR TREATING CANCER BICYCLETX LIMITED (GB) 2020-07-09 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-20200215199-A1 COMPOUNDS FOR TREATING CANCER TP53, VHL, MYC CTSG 411/4885EPHA2 1788/4885PLAU 2141/4885

“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.