SCHEMBL5700398

SCHEMBL5700398

CS(=O)(=O)c1cncc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CA2 P00918 4/20 0.40
▸ CA5A P35218 3/20 0.40
▸ CA1 P00915 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA3 P07451 2/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA6 P23280 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA13 Q8N1Q1 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ CA5B Q9Y2D0 2/20 0.38
▸ KCNJ1 P48048 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HSP90AA1 P07900 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
SCHEMBL28219706 0.82 PTGS2 (0.50) PTGS2CA2CA1CA12CA9
SCHEMBL1491205 0.81 KMT2A (0.42) KMT2AGAAHTTCA2CA5A
SCHEMBL11641321 0.81 CA2 (0.56) KMT2AGAAHTTCA2CA5A
SCHEMBL11638120 0.81 GAA (0.42) KMT2AGAAHTTCA2CA5A
SCHEMBL11641375 0.81 ALDH1A1 (0.50) KMT2AGAAHTTCA2CA5A
SCHEMBL1171984 0.78 CYP19A1 (0.52) PTGS2KMT2AGAAHTTCA2
SCHEMBL4086848 0.78 KMT2A (0.48) PTGS2KMT2AGAAHTTCA2
SCHEMBL12757790 0.77 HTT (0.39) KMT2AGAAHTTCA2CA5A
SCHEMBL5252228 0.77 CYP19A1 (0.55) HTTALDH1A1
SCHEMBL11665634 0.77 ALDH3A1 (0.43) KMT2AGAACA2CA5ACA1

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 2086/4885KMT2A 1390/4885GAA 3051/4885

“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.

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