SCHEMBL5700283

SCHEMBL5700283

CS(=O)(=O)c1ccnc(C=O)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 2/20 0.37
▸ PTGS2 P35354 1/20 0.35
▸ G6PD P11413 1/20 0.34
▸ IDE P14735 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MET P08581 1/20 0.34
▸ RIPK2 O43353 2/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ RET P07949 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ PKMYT1 Q99640 1/20 0.33
▸ CBFB Q13951 1/20 0.33
▸ ENPP2 Q13822 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
SCHEMBL27827197 0.81 HRH4 (0.37) ROCK1G6PDIDE
SCHEMBL16289399 0.76 ROCK1 (0.39) ROCK1PTGS2G6PDIDESMN1; SMN2
SCHEMBL7609085 0.74 ERN1 (0.38) —
SCHEMBL4963732 0.74 ALDH1A1 (0.39) PTGS2SMN1; SMN2
SCHEMBL3465117 0.74 LMNA (0.35) ROCK1
SCHEMBL13801171 0.74 UHRF1 (0.48) ROCK1PTGS2G6PDIDESMN1; SMN2
SCHEMBL10920036 0.74 ROCK1 (0.40) ROCK1PTGS2G6PDIDESMN1; SMN2
SCHEMBL986987 0.73 ALDH1A1 (0.38) PTGS2SMN1; SMN2
SCHEMBL6883165 0.72 PTGS2 (0.46) ROCK1PTGS2NR1H2NR1H3
SCHEMBL31599666 0.72 PTGS1 (0.39) ROCK1PTGS2G6PDIDESMN1; SMN2

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 ROCK1 4205/4885PTGS2 2086/4885G6PD 3226/4885

“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.

Send feedback