SCHEMBL17548974

SCHEMBL17548974

COC(=O)C(CC(C)C)NC(=O)c1ccc(NCc2cnc[nH]2)cc1-c1cccc2ccccc12

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.85
FNTB P49356 16/20 0.85
PGGT1B P53609 14/20 0.85
TDP1 Q9NUW8 1/20 0.65
ICMT O60725 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42

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
SCHEMBL31002996 1.00 FNTA (0.85) FNTAFNTBPGGT1BTDP1ICMT
SCHEMBL17548973 0.92 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL29394726 0.92 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL16111812 0.92 FNTA (1.00) FNTAFNTBPGGT1BTDP1
Trifluoroacetic Acid SCHEMBL16112378 0.88 FNTA (0.91) FNTAFNTBPGGT1BTDP1
SCHEMBL6772134 0.85 FNTA (0.84) FNTAFNTBPGGT1BTDP1TAS1R3
SCHEMBL10018886 0.84 FNTA (0.66) FNTAFNTBPGGT1BTDP1TAS1R3
SCHEMBL6776503 0.84 FNTA (0.85) FNTAFNTBPGGT1BTDP1TAS1R3
SCHEMBL6776500 0.84 FNTA (0.85) FNTAFNTBPGGT1BTDP1TAS1R3
SCHEMBL14169146 0.81 FNTA (0.87) FNTAFNTBPGGT1BICMT

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-20160058751-A1 COMPOSITION AND METHOD FOR TREATING CANCER CELLWORKS GROUP, INC. (US) 2016-03-03 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-20160058751-A1 COMPOSITION AND METHOD FOR TREATING CANCER KRAS, NRAS, TP53 FNTA 1114/4885FNTB 1259/4885PGGT1B 2389/4885

“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.