SCHEMBL17548973

SCHEMBL17548973

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 1.00
FNTB P49356 16/20 1.00
PGGT1B P53609 15/20 1.00
TDP1 Q9NUW8 1/20 0.54
BCL2L1 Q07817 1/20 0.45

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
SCHEMBL29394726 1.00 FNTA (1.00) FNTAFNTBPGGT1BTDP1BCL2L1
SCHEMBL16111812 1.00 FNTA (1.00) FNTAFNTBPGGT1BTDP1BCL2L1
Trifluoroacetic Acid SCHEMBL16112378 0.95 FNTA (0.91) FNTAFNTBPGGT1BTDP1BCL2L1
SCHEMBL17548974 0.92 FNTA (0.85) FNTAFNTBPGGT1BTDP1
SCHEMBL31002996 0.92 FNTA (0.85) FNTAFNTBPGGT1BTDP1
SCHEMBL6781390 0.85 FNTA (1.00) FNTAFNTBPGGT1BTDP1BCL2L1
SCHEMBL6781382 0.85 FNTA (1.00) FNTAFNTBPGGT1BTDP1BCL2L1
SCHEMBL4280385 0.84 FNTA (0.78) FNTAFNTBPGGT1BTDP1BCL2L1
SCHEMBL6775825 0.84 FNTA (1.00) FNTAFNTBPGGT1BTDP1BCL2L1
SCHEMBL14169146 0.82 FNTA (0.87) 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 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.