SCHEMBL16136644

SCHEMBL16136644

CC(C)CC(NC(=O)c1ccc(NCC(N)CS)cc1-c1cccc2ccccc12)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 19/20 1.00
FNTB P49356 17/20 1.00
PGGT1B P53609 14/20 1.00
TDP1 Q9NUW8 3/20 0.84
BCL2L1 Q07817 1/20 0.47

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
SCHEMBL1804295 1.00 FNTA (1.00) FNTAFNTBPGGT1BTDP1BCL2L1
SCHEMBL16499927 1.00 FNTA (1.00) FNTAFNTBPGGT1BTDP1BCL2L1
Trifluoroacetic Acid SCHEMBL28675162 0.95 FNTA (0.91) FNTAFNTBPGGT1BTDP1BCL2L1
Trifluoroacetic Acid SCHEMBL31146895 0.95 FNTA (0.91) FNTAFNTBPGGT1BTDP1BCL2L1
Trifluoroacetic Acid SCHEMBL28675164 0.95 FNTA (0.91) FNTAFNTBPGGT1BTDP1BCL2L1
SCHEMBL14169141 0.93 FNTA (0.87) FNTAFNTBPGGT1BTDP1
SCHEMBL29392871 0.91 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL16136630 0.91 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL4283635 0.91 FNTA (1.00) FNTAFNTBPGGT1BTDP1
Trifluoroacetic Acid SCHEMBL16499780 0.88 FNTA (0.89) FNTAFNTBPGGT1BTDP1

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-20160058751-A1 COMPOSITION AND METHOD FOR TREATING CANCER CELLWORKS GROUP, INC. (US) 2016-03-03 US disclosed
WO-2014160729-A1 COMPOSITION AND METHOD FOR TREATING CANCER CELLWORKS RESEARCH INDIA PVT. LTD (IN) 2014-10-02 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 (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.