SCHEMBL5700467

SCHEMBL5700467

CN(C)c1cnccc1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.39
CA2 P00918 8/20 0.39
CA9 Q16790 8/20 0.39
CA1 P00915 7/20 0.39
CA14 Q9ULX7 7/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
EDNRA P25101 2/20 0.38
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CHRM5 P08912 1/20 0.35
CHKA P35790 1/20 0.35
HTR6 P50406 1/20 0.34
GPBAR1 Q8TDU6 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
SCHEMBL19144940 0.74 L3MBTL1 (0.44) CA12CA2CA9CA1CA14
SCHEMBL2646684 0.74 CA12 (0.39) CA12CA2CA9CA1CA14
SCHEMBL5700164 0.73 CA12 (0.37) CA12CA2CA9CA1CA14
SCHEMBL5700440 0.73 SLC22A12 (0.43) CA12CA2CA9CA1CA14
SCHEMBL23665029 0.72 CA12 (0.38) CA12CA2CA9CA1CA14
SCHEMBL18230499 0.72 KDM4E (0.47) CA12CA2CA9CA1CA14
SCHEMBL30050575 0.72 KDM4E (0.47) CA12CA2CA9CA1CA14
SCHEMBL2646686 0.72 CA12 (0.42) CA12CA2CA9CA1CA14
SCHEMBL21768460 0.72 CA12 (0.43) CA12CA2CA9CA1CA14
SCHEMBL30784405 0.72 PTGS2 (0.42) CA12CA2CA9CA1CA14

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 CA12 1841/4885CA2 2561/4885CA9 1828/4885

“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.