SCHEMBL4810050

SCHEMBL4810050

CC(C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 8/20 0.46
▸ FNTB P49356 8/20 0.46
▸ NMT2 O60551 1/20 0.43
▸ NMT1 P30419 1/20 0.43
▸ FURIN P09958 4/20 0.42
▸ CPB2 Q96IY4 1/20 0.41
▸ PCSK6 P29122 1/20 0.41
▸ CTSL P07711 1/20 0.41

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
SCHEMBL4810020 1.00 FNTA (0.46) FNTAFNTBNMT2NMT1FURIN
SCHEMBL29551013 0.89 NMT2 (0.43) FNTAFNTBNMT2NMT1
SCHEMBL29630586 0.88 CPB2 (0.47) FNTAFNTBNMT2NMT1FURIN
SCHEMBL31319511 0.88 NMT2 (0.44) FNTAFNTBNMT2NMT1CPB2
SCHEMBL29386095 0.88 GSR (0.45) NMT2NMT1CPB2
SCHEMBL31722954 0.88 NMT1 (0.43) NMT2NMT1CPB2
SCHEMBL30123480 0.88 FNTA (0.50) FNTAFNTB
SCHEMBL29473686 0.87 NMT2 (0.47) NMT2NMT1FURINCPB2PCSK6
SCHEMBL31514345 0.87 FNTA (0.47) FNTAFNTBFURINCPB2
SCHEMBL28435814 0.87 FOLH1 (0.47) FNTAFNTBNMT2NMT1CPB2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7344851-B2 Anticancer agents based on prevention of protein prenylation ARIZONA BIOMEDICAL RESEARCH COMMISSION (US) 2008-03-18 — — US disclosed
US-7012097-B2 Anticancer agents based on prevention of protein prenylation THE ARIZONA DISEASE CONTROL RESEARCH COMMISSION (US) 2006-03-14 — — US disclosed
US-20060030624-A1 Alpha-Dicarbonyl compounds can be used to covalently modify and thereby inactivate prenylating enzymes such as protein farnesyltransferase and protein geranylgeranyltransferase; drug screening; antitumor agents; antiproliferative agents ARIZONA DISEASE CONTROL RESEARCH COMMISSION (US) 2006-02-09 — — US disclosed
US-20030219847-A1 Anticancer agents based on prevention of protein prenylation THE ARIZONA DISEASE CONTROL RESEARCH COMMISSION 2003-11-27 — — US disclosed
US-6576436-B1 Inactivating farnesyltransferase using a alpha-dicarbonyl compound of given formula; drug screening; antitumor agents; antiproliferative agents THE ARIZONA DISEASE CONTROL RESEARCH COMMISSION 2003-06-10 — — US disclosed
WO-2000033826-A1 ANTICANCER AGENTS BASED ON PREVENTION OF PROTEIN PRENYLATION THE ARIZONA DISEASE CONTROL RESEARCH COMMISSION (US) 2000-06-15 — — WO 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 (2 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-20030219847-A1 Anticancer agents based on prevention of protein prenylation RCE1, FNTA, FNTB FNTA 2/4885FNTB 3/4885NMT2 149/4885
US-20060030624-A1 Alpha-Dicarbonyl compounds can be used to covalently modify and thereby inactivate prenylating enzymes such as protein farnesyltransferase and protein geranylgeranyltransferase; drug screening; antitumor agents; antiproliferative agents FNTA, FNTB, RCE1 FNTA 1/4885FNTB 2/4885NMT2 82/4885

“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