SCHEMBL13888577

SCHEMBL13888577

O=C1NC2CS[C@@H](CCCCC(=O)Oc3c(F)c(F)cc(F)c3F)C2N1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.67
▸ MEN1 O00255 1/20 0.59
▸ ABL1 P00519 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ IDE P14735 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ RIN1 Q13671 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ HLCS P50747 6/20 0.53
▸ HPSE Q9Y251 1/20 0.49
▸ CA12 O43570 5/20 0.48
▸ CA1 P00915 5/20 0.48
▸ CA2 P00918 5/20 0.48
▸ CA9 Q16790 5/20 0.48
▸ F2 P00734 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 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
SCHEMBL10002269 1.00 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL1727527 1.00 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL3870139 0.94 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL18268937 0.92 TDP1 (0.59) TDP1MEN1ABL1LMNAPKM
SCHEMBL31224941 0.91 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL14165464 0.91 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL9926313 0.91 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL140972 0.91 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL13790958 0.89 TDP1 (0.56) TDP1MEN1ABL1LMNAPKM
SCHEMBL318637 0.88 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM

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-20160346409-A1 TARGETED MOLECULAR IMAGING CONTRAST AGENTS UNIV MCMASTER (CA) 2016-12-01 — — US disclosed
US-20090111195-A1 CHEMICAL REAGENTS AND METHODS FOR DETECTION AND QUANTIFICATION OF PROTEINS IN COMPLEX MIXTURES THE INSTITUTE FOR SYSTEMS BIOLOGY (US) 2009-04-30 — — 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-20090111195-A1 CHEMICAL REAGENTS AND METHODS FOR DETECTION AND QUANTIFICATION OF PROTEINS IN COMPLEX MIXTURES STUB1, INHA, IAPP TDP1 3110/4885MEN1 953/4885ABL1 107/4885

“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.

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