SCHEMBL6774841

SCHEMBL6774841

CC(C)C[C@H](NC(=O)c1ccc(CNCc2c[nH]cn2)cc1-c1cccc2ccccc12)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.73
FNTB P49356 12/20 0.73
PGGT1B P53609 12/20 0.73
BCL2L1 Q07817 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NTSR1 P30989 2/20 0.42
GRN P28799 1/20 0.41
SORT1 Q99523 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
SCHEMBL6782824 0.92 FNTA (0.62) FNTAFNTBPGGT1BTDP1
SCHEMBL6782826 0.92 FNTA (0.62) FNTAFNTBPGGT1BTDP1
SCHEMBL4280385 0.89 FNTA (0.78) FNTAFNTBPGGT1BBCL2L1TDP1
Trifluoroacetic Acid SCHEMBL1396830 0.84 FNTA (0.71) FNTAFNTBPGGT1BBCL2L1TDP1
Trifluoroacetic Acid SCHEMBL21933140 0.84 FNTA (0.71) FNTAFNTBPGGT1BBCL2L1TDP1
Trifluoroacetic Acid SCHEMBL20564403 0.84 FNTA (0.71) FNTAFNTBPGGT1BBCL2L1TDP1
Trifluoroacetic Acid SCHEMBL31561401 0.84 FNTA (0.71) FNTAFNTBPGGT1BBCL2L1TDP1
SCHEMBL10018886 0.81 FNTA (0.66) FNTAFNTBPGGT1BTDP1
SCHEMBL6774837 0.79 FNTA (0.55) FNTAFNTBPGGT1BBCL2L1TDP1
SCHEMBL16136628 0.77 FNTA (0.71) FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 US claimed
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 FNTA 20/4885FNTB 2/4885PGGT1B 1021/4885

“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.