SCHEMBL5844477

SCHEMBL5844477

CCCCCCCCCCOc1cc2ccc(S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)c3ccc4cc(OCCCCCCCCCC)c(OCCCCCCCCCC)cc4c3)cc2cc1OCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.44
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
SMPD1 P17405 3/20 0.37
PTPN1 P18031 1/20 0.37
CYP19A1 P11511 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
TLR8 Q9NR97 1/20 0.36
GGPS1 O95749 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
SCHEMBL5844204 1.00 S1PR3 (0.44) S1PR3PPARGPPARASMPD1PTPN1
SCHEMBL5845575 1.00 S1PR3 (0.44) S1PR3PPARGPPARASMPD1PTPN1
SCHEMBL5843439 1.00 S1PR3 (0.44) S1PR3PPARGPPARASMPD1PTPN1
SCHEMBL5845206 1.00 S1PR3 (0.44) S1PR3PPARGPPARASMPD1PTPN1
SCHEMBL5844003 0.99 S1PR3 (0.43) S1PR3PPARGPPARASMPD1PTPN1
SCHEMBL5844396 0.95 CA12 (0.41) S1PR3CA12CA1CA2TSHR
SCHEMBL5844059 0.93 S1PR3 (0.41) S1PR3PPARGPPARATLR8
SCHEMBL5843593 0.90 PPARG (0.38) S1PR3PPARGPPARAPTPN1TLR8
SCHEMBL5881861 0.89 THRA (0.46) S1PR3CA12CA1CA2TSHR
SCHEMBL5881612 0.89 THRA (0.46) S1PR3CA12CA1CA2TSHR

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-7101651-B2 Sulfonyldiazomethanes, photoacid generators, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO.,LTD. (JP) 2006-09-05 US disclosed
US-20040166432-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-20040166432-A1 Novel sulfonyldiazomethanes, photoacid generators, resist compositions, and patterning process VEGFA, POLL, PIM3 S1PR3 1891/4885PPARG 437/4885PPARA 49/4885

“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.