SCHEMBL5862337

SCHEMBL5862337

CCCCCCCCCOc1ccc(CC)cc1S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)c1cc(CC)ccc1OCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 5/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
PTPN11 Q06124 2/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
S1PR2 O95136 4/20 0.37
S1PR1 P21453 4/20 0.37
LPAR2 Q9HBW0 4/20 0.37
SMPD1 P17405 3/20 0.37
CYP19A1 P11511 2/20 0.37

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
SCHEMBL5861981 1.00 S1PR3 (0.42) S1PR3THRATHRBPTPN11PTPN1
SCHEMBL5862958 1.00 S1PR3 (0.42) S1PR3THRATHRBPTPN11PTPN1
SCHEMBL5861993 1.00 S1PR3 (0.42) S1PR3THRATHRBPTPN11PTPN1
SCHEMBL5862538 0.99 S1PR3 (0.40) S1PR3THRATHRBPTPN11PTPN1
SCHEMBL5861533 0.95 ATM (0.37) S1PR3THRATHRBPTPN11PTPN1
SCHEMBL5861574 0.89 THRA (0.39) S1PR3THRATHRBPTPN11PTPN1
SCHEMBL5844543 0.86 THRA (0.45) S1PR3THRATHRBPTPN11
SCHEMBL5862493 0.86 POLB (0.43) S1PR3THRATHRBPTPN11ALDH1A1
SCHEMBL5843349 0.86 THRA (0.45) S1PR3THRATHRBPTPN11
SCHEMBL5861561 0.86 POLB (0.43) S1PR3THRATHRBPTPN11ALDH1A1

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 S1PR3 2134/4885THRA 2769/4885THRB 3554/4885

“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.