SCHEMBL13165210

SCHEMBL13165210

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.39
▸ CHRM1 P11229 4/20 0.37
▸ CHRM3 P20309 4/20 0.37
▸ CHRM2 P08172 3/20 0.37
▸ CHRM4 P08173 3/20 0.37
▸ CHRM5 P08912 3/20 0.37
▸ HRH2 P25021 7/20 0.35
▸ ADORA1 P30542 4/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ MLNR O43193 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ TBXA2R P21731 1/20 0.35

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 0.98 PTPN1 (0.41) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL14708694 0.92 PTPN1 (0.35) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL1105644 0.91 PTPN1 (0.39) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL10118452 0.90 ADORA1 (0.37) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL1105705 0.89 PTPN1 (0.41) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL1105687 0.87 PTPN1 (0.44) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL14747440 0.86 PTPN1 (0.44) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL13820018 0.84 BRD4 (0.43) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL14708689 0.83 PTPN1 (0.34) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL12012051 0.83 ADRB2 (0.43) PTPN1CHRM1CHRM3CHRM2CHRM4

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-20100228008-A1 Dyes linked to target molecules, oligonucleotides or polynucleotides comprising dye molecules, composite dyes and other compositions useful for detecting or quantifying desirable target molecules ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2010-09-09 — — 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-20100228008-A1 Dyes linked to target molecules, oligonucleotides or polynucleotides comprising dye molecules, composite dyes and other compositions useful for detecting or quantifying desirable target molecules ANXA5, POLRMT, DCLRE1B PTPN1 3392/4885CHRM1 4490/4885CHRM3 3944/4885

“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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