SCHEMBL17861122

SCHEMBL17861122

O=C(O)C1CSC(c2nc3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3s2)=N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.56
PTPN1 P18031 2/20 0.40
SCD O00767 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 5/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
APP P05067 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CLK1 P49759 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA2 P00918 2/20 0.36
CA5A P35218 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL139855 1.00 GPR35 (0.56) GPR35PTPN1SCDCCNE1CDK2
SCHEMBL17856893 0.93 GPR35 (0.47) GPR35PTPN1SCDCCNE1CDK2
SCHEMBL13996323 0.89 GPR35 (0.62) GPR35ALDH1A1MAPTKMT2ALMNA
SCHEMBL137698 0.88 GPR35 (0.52) GPR35PTPN1SCDCCNE1CDK2
SCHEMBL17861117 0.88 GPR35 (0.52) GPR35PTPN1SCDCCNE1CDK2
SCHEMBL12312891 0.88 GPR35 (0.52) GPR35PTPN1SCDALDH1A1MAPT
SCHEMBL17861053 0.88 GPR35 (0.52) GPR35PTPN1SCDALDH1A1MAPT
SCHEMBL16136586 0.88 GPR35 (0.44) GPR35PTPN1SCDALDH1A1HSP90AA1
SCHEMBL140402 0.85 GPR35 (0.54) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL17861115 0.85 GPR35 (0.54) GPR35ALDH1A1MAPTMEN1KMT2A

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-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-06-23 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-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS GLB1, NOD1, PYCARD GPR35 3035/4885PTPN1 2439/4885SCD 3990/4885

“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.