SCHEMBL5700446

SCHEMBL5700446

CS(=O)(=O)c1cnccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.51
CYP17A1 P05093 1/20 0.48
SLC22A12 Q96S37 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
PTGS1 P23219 1/20 0.43
TNF P01375 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
RPS6KA3 P51812 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL5700364 0.86 PTGS2 (0.51) PTGS2CYP17A1SLC22A12MAOAMAOB
SCHEMBL1205903 0.81 CA12 (0.44) PTGS2CYP17A1SLC22A12MAOAMAOB
SCHEMBL7045230 0.77 RPS6KA3 (0.57) PTGS2CYP17A1SLC22A12RPS6KA3
SCHEMBL6739704 0.77 RPS6KA3 (0.50) PTGS2CYP17A1SLC22A12MAOAMAOB
SCHEMBL937206 0.77 PTGS2 (0.61) PTGS2MAOAPTGS1L3MBTL1
SCHEMBL29415408 0.77 PTGS2 (0.61) PTGS2MAOAPTGS1L3MBTL1
SCHEMBL28990803 0.75 RPS6KA3 (0.44) CYP17A1SLC22A12MAOAMAOBTNF
SCHEMBL2447766 0.75 PTGS2 (0.64) PTGS2MAOAPTGS1L3MBTL1
Hydrochloric Acid SCHEMBL7352630 0.75 PTGS2 (0.59) PTGS2MAOAPTGS1L3MBTL1
SCHEMBL1273256 0.75 CYP17A1 (0.45) PTGS2CYP17A1SLC22A12MAOAMAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 EP 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 PTGS2 2086/4885CYP17A1 1458/4885SLC22A12 4178/4885

“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.