SCHEMBL14708694

SCHEMBL14708694

CN(C)S(=O)(=O)c1ccc2c(c1)sc(/C=C/C=C1/N(CCCCCC(=O)ON3C(=O)CCC3=O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[n+]2CCCC[SH](=O)=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.35
▸ ADORA1 P30542 3/20 0.32
▸ CHRM1 P11229 3/20 0.32
▸ CHRM2 P08172 2/20 0.32
▸ CHRM4 P08173 2/20 0.32
▸ CHRM5 P08912 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ FOLH1 Q04609 2/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ CXCR4 P61073 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ PRMT1 Q99873 1/20 0.30
▸ KIFC1 Q9BW19 1/20 0.30

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
SCHEMBL1105707 0.94 PTPN1 (0.41) PTPN1ADORA1CHRM1CHRM2CHRM4
SCHEMBL13165210 0.92 PTPN1 (0.39) PTPN1ADORA1CHRM1CHRM2CHRM4
SCHEMBL14708689 0.91 PTPN1 (0.34) PTPN1ADORA1CHRM1CHRM2CHRM4
SCHEMBL14747683 0.90 PTPN1 (0.37) PTPN1ADORA1CHRM1CHRM2CHRM4
SCHEMBL10118452 0.87 ADORA1 (0.37) PTPN1ADORA1CHRM1CHRM2CHRM4
SCHEMBL1105705 0.85 PTPN1 (0.41) PTPN1ADORA1CHRM1CHRM2CHRM4
SCHEMBL1105644 0.83 PTPN1 (0.39) PTPN1ADORA1CHRM1CHRM2CHRM4
SCHEMBL1105687 0.83 PTPN1 (0.44) PTPN1ADORA1CHRM1CHRM2CHRM4
SCHEMBL14747440 0.82 PTPN1 (0.44) PTPN1ADORA1CHRM1CHRM2CHRM4
SCHEMBL1105635 0.81 MAPT (0.36) PTPN1ADORA1CHRM1CHRM2CHRM4

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-20130045480-A1 Novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes - useful or detection or quantification of desirable target molecules ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2013-02-21 — — 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-20130045480-A1 Novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes - useful or detection or quantification of desirable target molecules ANXA5, DCLRE1B, ANXA4 PTPN1 3164/4885ADORA1 1763/4885CHRM1 4462/4885

“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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