SCHEMBL12654818

SCHEMBL12654818

CCCCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HLCS P50747 6/20 1.00
TDP1 Q9NUW8 6/20 0.65
MEN1 O00255 1/20 0.65
ABL1 P00519 1/20 0.65
LMNA P02545 1/20 0.65
PKM P14618 1/20 0.65
IDE P14735 1/20 0.65
MAPK1 P28482 1/20 0.65
KMT2A Q03164 1/20 0.65
RIN1 Q13671 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TPSAB1 Q15661 1/20 0.46

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
SCHEMBL10286412 1.00 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL13647376 1.00 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL19249123 1.00 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL21348602 1.00 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL14950957 1.00 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL423924 0.98 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL21769329 0.98 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL10038443 0.98 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL4813371 0.98 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL11248303 0.98 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA

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-20110123452-A1 METAL OLIGOMERS AND POLYMERS AND THEIR USE IN BIOLOGY AND MEDICINE NANOPROBES, INC. (US) 2011-05-26 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-20110123452-A1 METAL OLIGOMERS AND POLYMERS AND THEIR USE IN BIOLOGY AND MEDICINE PICALM, CACYBP, CLTB HLCS 1550/4885TDP1 372/4885MEN1 160/4885

“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.