SCHEMBL7786905

SCHEMBL7786905

O=S(=O)(O)CCc1ccc(CS)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
PDE4A P27815 1/20 0.42
RECQL P46063 1/20 0.39
IDO1 P14902 6/20 0.39
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
MMP12 P39900 2/20 0.37
MMP13 P45452 2/20 0.37
F2 P00734 2/20 0.35
TMPRSS4 Q9NRS4 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 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
SCHEMBL9653975 0.80 RECQL (0.41) PTGS1PDE4ARECQLS1PR2S1PR1
SCHEMBL8145771 0.80 ESR1 (0.56) PTGS1CA2CA1TP53MGLL
SCHEMBL778326 0.78 TAAR1 (0.46) PTGS1CA2CA12CA1CA4
SCHEMBL14381986 0.78 EGFR (0.47) RECQLS1PR2S1PR1S1PR3MMP12
SCHEMBL3888825 0.78 KMT2A (0.49) S1PR2S1PR1S1PR3CA2CA12
SCHEMBL3132188 0.78 RECQL (0.39) RECQLIDO1S1PR2S1PR1S1PR3
SCHEMBL8899345 0.78 RECQL (0.64) RECQLS1PR2S1PR1S1PR3F2
SCHEMBL3135932 0.78 TAAR1 (0.46) CA2CA12CA1CA4CA9
SCHEMBL7648111 0.78 RECQL (0.39) PTGS1PDE4ARECQLS1PR2S1PR1
SCHEMBL3134989 0.78 TAAR1 (0.46) RECQLIDO1CA2CA12CA1

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-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids CIBA SPEICIALTY CHEMICALS CORP. 2001-11-01 US disclosed
US-6017675-A POLYMERIZATION CATALYST CIBA SPECIALTY CHEMIALS CORPORATION (US) 2000-01-25 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-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids QSOX1, HAO2, PAH PTGS1 271/4885PDE4A 4869/4885RECQL 2374/4885

“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.