SCHEMBL5700440

SCHEMBL5700440

CS(=O)(=O)c1ccncc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.43
HTT P42858 2/20 0.41
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PDE5A O76074 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
PDE4A P27815 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 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
SCHEMBL5700314 0.87 SLC22A12 (0.43) SLC22A12HTTCA12CA1CA2
SCHEMBL5700164 0.85 CA12 (0.37) SLC22A12CA12CA1CA2CA9
SCHEMBL5700433 0.76 CA12 (0.40) CA12CA1CA2CA9LMNA
SCHEMBL21048790 0.75 SLC22A12 (0.63) SLC22A12PTGS1
SCHEMBL514821 0.74 ALDH1A1 (0.63) SLC22A12HTTLMNATSHRALDH1A1
SCHEMBL19144940 0.74 L3MBTL1 (0.44) CA12CA1CA2CA9LMNA
SCHEMBL2646684 0.74 CA12 (0.39) SLC22A12CA12CA1CA2CA9
SCHEMBL5700467 0.73 CA12 (0.39) CA12CA1CA2CA9LMNA
SCHEMBL23665029 0.72 CA12 (0.38) SLC22A12CA12CA1CA2CA9
SCHEMBL2646686 0.72 CA12 (0.42) SLC22A12CA12CA1CA2CA9

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 SLC22A12 4178/4885HTT 682/4885CA12 1841/4885

“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.