SCHEMBL5861677

SCHEMBL5861677

CCCCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
S1PR3 Q99500 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
CYP2C9 P11712 1/20 0.35
CETP P11597 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
FABP4 P15090 5/20 0.34
FABP5 Q01469 5/20 0.34
ESR1 P03372 2/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
NR1I2 O75469 1/20 0.33

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
SCHEMBL5861614 0.99 PTPN1 (0.38) PTPN1S1PR3CNR1CNR2PPARG
SCHEMBL5862340 0.96 GAA (0.37) PTPN1CNR1CNR2CETPGAA
SCHEMBL5862996 0.89 S1PR3 (0.39) PTPN1S1PR3CNR1CNR2PPARG
SCHEMBL5861568 0.88 ESR1 (0.41) S1PR3THRATHRBESR1GAA
SCHEMBL5862968 0.88 ESR1 (0.41) S1PR3THRATHRBESR1GAA
SCHEMBL5862347 0.88 ESR1 (0.41) S1PR3THRATHRBESR1GAA
SCHEMBL5861729 0.88 ESR1 (0.41) S1PR3THRATHRBESR1GAA
SCHEMBL5861991 0.88 RAPGEF3 (0.38) PTPN1S1PR3CNR1CNR2PPARG
SCHEMBL5862000 0.87 ALDH1A1 (0.41) S1PR3THRATHRBESR1GAA
SCHEMBL5862339 0.85 RAPGEF3 (0.41) CNR1CNR2CETPGAATDP1

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-7109311-B2 Sulfonyldiazomethanes, photoacid generators, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2006-09-19 US disclosed
US-20040167322-A1 Novel sulfonyldiazomethanes, photoacid generators, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-08-26 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-20040167322-A1 Novel sulfonyldiazomethanes, photoacid generators, resist compositions, and patterning process POLL, VEGFA, PIM3 PTPN1 173/4885S1PR3 2134/4885CNR1 2620/4885

“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.