SCHEMBL6777939

SCHEMBL6777939

COC(=O)[C@H](CC(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1C#CC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 12/20 0.46
TAS1R1 Q7RTX1 12/20 0.46
BCL2L1 Q07817 3/20 0.44

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
SCHEMBL6777938 1.00 TAS1R3 (0.46) TAS1R3TAS1R1BCL2L1
SCHEMBL6777746 0.90 TAS1R3 (0.50) TAS1R3TAS1R1BCL2L1
SCHEMBL6777750 0.90 TAS1R3 (0.50) TAS1R3TAS1R1BCL2L1
SCHEMBL6776372 0.87 ADRB2 (0.41) BCL2L1
SCHEMBL6776375 0.87 ADRB2 (0.41) BCL2L1
SCHEMBL6778269 0.86 TAS1R3 (0.42) TAS1R3TAS1R1
SCHEMBL6778272 0.86 TAS1R3 (0.42) TAS1R3TAS1R1
SCHEMBL6886588 0.85 ALDH1A1 (0.50) TAS1R3TAS1R1
SCHEMBL6886592 0.85 ALDH1A1 (0.50) TAS1R3TAS1R1
SCHEMBL6775099 0.85 TAS1R3 (0.48) TAS1R3TAS1R1BCL2L1

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-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 TAS1R3 4547/4885TAS1R1 4482/4885BCL2L1 3199/4885

“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.