SCHEMBL16136646

SCHEMBL16136646

CC(C)CC(NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 1.00
FNTB P49356 18/20 1.00
PGGT1B P53609 17/20 1.00
TDP1 Q9NUW8 3/20 0.75

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
SCHEMBL2225637 1.00 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL30144590 1.00 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL4738546 1.00 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL8495867 1.00 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL14169166 0.93 FNTA (0.87) FNTAFNTBPGGT1BTDP1
SCHEMBL9058589 0.91 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL16136645 0.91 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL29642927 0.91 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL1802360 0.91 FNTA (1.00) FNTAFNTBPGGT1BTDP1
Hydrochloric Acid SCHEMBL8496569 0.91 FNTA (0.98) 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.