SCHEMBL5447524

SCHEMBL5447524

CS(=O)(=O)c1ccc(N(N=O)c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.46
▸ PTGDR2 Q9Y5Y4 9/20 0.43
▸ PTGES O14684 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ MEP1B Q16820 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CAMK2A Q9UQM7 1/20 0.40
▸ RORC P51449 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39

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
SCHEMBL8052632 0.84 PTGDR2 (0.54) PTGS2PTGDR2MEP1BCA2CAMK2A
SCHEMBL168163 0.84 PTGDR2 (0.54) PTGS2PTGDR2MEP1BCA2CAMK2A
SCHEMBL28288707 0.83 KMT2A (0.51) PTGS2PTGDR2MEP1BCA2CAMK2A
Hydrochloric Acid SCHEMBL15411526 0.82 PTGDR2 (0.52) PTGS2PTGDR2MEP1BCA2CAMK2A
SCHEMBL5445794 0.80 KMT2A (0.49) ALOX5CA2
SCHEMBL5441097 0.78 CTBP2 (0.47) PTGDR2CA2CAMK2ANR1H4
SCHEMBL5447533 0.78 CTBP2 (0.47) PTGDR2CA2CAMK2ANR1H4
SCHEMBL5447675 0.78 KDM4E (0.56) PTGDR2ALOX5KEAP1NFE2L2
SCHEMBL5463159 0.75 RORC (0.48) PTGS2PTGDR2MEP1BRORC
SCHEMBL11562112 0.75 SRD5A2 (0.55) PTGS2PTGDR2MEP1BCA2CAMK2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 — — US claimed
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 — — US 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-20070123586-A1 Nitroso derivatives of diphenylamine NOS3, CBR3, CBR1 PTGS2 580/4885PTGDR2 232/4885PTGES 928/4885

“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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