SCHEMBL13408625

SCHEMBL13408625

CCC(COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 20/20 0.74
▸ PTGS1 P23219 2/20 0.71
▸ GLO1 Q04760 2/20 0.71
▸ HIF1A Q16665 2/20 0.71
▸ HTR1A P08908 1/20 0.71
▸ PKM P14618 1/20 0.71
▸ AKR1C3 P42330 2/20 0.68
▸ CNR2 P34972 1/20 0.68
▸ KDM4E B2RXH2 1/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ PTGES O14684 1/20 0.67
▸ ABCC3 O15438 1/20 0.67
▸ ABCC4 O15439 1/20 0.67
▸ ABCB11 O95342 1/20 0.67
▸ MT-CO2 P00403 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ ALB P02768 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ ABCB1 P08183 1/20 0.67
▸ ALOX5 P09917 1/20 0.67

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
SCHEMBL11405394 0.90 PTGS2 (0.74) PTGS2PTGS1GLO1HIF1AHTR1A
SCHEMBL150555 0.90 PTGS2 (0.74) PTGS2PTGS1GLO1HIF1AHTR1A
SCHEMBL150556 0.90 PTGS2 (0.74) PTGS2PTGS1GLO1HIF1AHTR1A
SCHEMBL2739339 0.89 PTGS2 (0.73) PTGS2PTGS1GLO1HIF1AHTR1A
SCHEMBL13390941 0.88 PTGS2 (0.71) PTGS2PTGS1GLO1HIF1AHTR1A
SCHEMBL4549122 0.86 PTGS2 (1.00) PTGS2PTGS1GLO1HIF1AHTR1A
SCHEMBL11159263 0.85 PTGS2 (0.80) PTGS2PTGS1GLO1HIF1AHTR1A
SCHEMBL29373123 0.84 PTGS2 (0.80) PTGS2PTGS1GLO1HIF1AHTR1A
SCHEMBL11614146 0.84 PTGS2 (0.83) PTGS2PTGS1GLO1HIF1AHTR1A
SCHEMBL29416586 0.84 PTGS2 (0.79) PTGS2PTGS1GLO1HIF1AHTR1A

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-8304409-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-11-06 — — US disclosed
US-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 — — 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-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 PTGS2 7/4885PTGS1 4/4885GLO1 771/4885

“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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