SCHEMBL21068140

SCHEMBL21068140

O=C(O)c1cc(C=C[N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 6/20 0.61
▸ AKR1C3 P42330 3/20 0.58
▸ AKR1C2 P52895 3/20 0.58
▸ FBP1 P09467 3/20 0.57
▸ AKR1B1 P15121 1/20 0.51
▸ AKR1C4 P17516 1/20 0.51
▸ AKR1C1 Q04828 1/20 0.51
▸ GRIK1 P39086 1/20 0.48
▸ RXFP1 Q9HBX9 2/20 0.48
▸ TEAD4 Q15561 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GMNN O75496 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TTR P02766 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PKM P14618 1/20 0.47

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
SCHEMBL31207343 1.00 MPO (0.61) MPOAKR1C3AKR1C2FBP1AKR1B1
SCHEMBL21068139 1.00 MPO (0.61) MPOAKR1C3AKR1C2FBP1AKR1B1
SCHEMBL21068136 0.83 MPO (0.71) MPOAKR1C3AKR1C2GRIK1RXFP1
SCHEMBL31207342 0.83 MPO (0.71) MPOAKR1C3AKR1C2GRIK1RXFP1
SCHEMBL7325216 0.81 MPO (0.83) MPOAKR1C3AKR1C2FBP1AKR1B1
SCHEMBL23691075 0.77 MPO (0.76) MPOAKR1C3AKR1C2GRIK1RXFP1
SCHEMBL1688342 0.76 MPO (1.00) MPOAKR1C3AKR1C2GRIK1RXFP1
Flufenamic Acid SCHEMBL29356958 0.75 RXFP1 (0.75) MPOAKR1C3AKR1C2GRIK1RXFP1
Flufenamic Acid SCHEMBL17497 0.75 RXFP1 (0.75) MPOAKR1C3AKR1C2GRIK1RXFP1
SCHEMBL30592090 0.75 FBP1 (1.00) FBP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3732162-B1 NITROALKENE NON STEROIDAL ANTI-INFLAMMATORY DRUGS (NA-NSAIDS) AND METHODS OF TREATING INFLAMMATION RELATED CONDITIONS INST PASTEUR DE MONTEVIDEO (UY) 2024-03-06 — — EP disclosed
US-20210107860-A1 NITROALKENE NON STEROIDAL ANTI-INFLAMMATORY DRUGS (NA-NSAIDS) AND METHODS OF TREATING INFLAMMATION RELATED CONDITIONS INSTITUT PASTEUR DE MONTEVIDEO (UY) 2021-04-15 — — US disclosed
US-10906864-B2 Nitroalkene non steroidal anti-inflammatory drugs (NA-NSAIDS) and methods of treating inflammation related conditions INSTITUT PASTEUR DE MONTEVIDEO (UY) 2021-02-02 — — US disclosed
EP-3732162-A1 NITROALKENE NON STEROIDAL ANTI-INFLAMMATORY DRUGS (NA-NSAIDS) AND METHODS OF TREATING INFLAMMATION RELATED CONDITIONS Institut Pasteur De Montevideo (UY) 2020-11-04 — — EP disclosed
CN-111655665-A Nitro-alkene non-steroidal anti-inflammatory drugs (NA-NSAIDS) and methods of treating inflammation-related disorders 蒙得维的亚巴斯德研究所 2020-09-11 — — CN disclosed
US-10428008-B2 Nitroalkene non steroidal anti-inflammatory drugs (NA-NSAIDs) and methods of treating inflammation related conditions INSTITUT PASTEUR DE MONTEVIDEO (UY) 2019-10-01 — — US disclosed
US-20190194121-A1 NITROALKENE NON STEROIDAL ANTI-INFLAMMATORY DRUGS (NA-NSAIDS) AND METHODS OF TREATING INFLAMMATION RELATED CONDITIONS INSTITUT PASTEUR DE MONTEVIDEO (UY) 2019-06-27 — — 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 (4 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-20190194121-A1 NITROALKENE NON STEROIDAL ANTI-INFLAMMATORY DRUGS (NA-NSAIDS) AND METHODS OF TREATING INFLAMMATION RELATED CONDITIONS PTGES, PTGS1, PTGIS MPO 32/4885AKR1C3 659/4885AKR1C2 675/4885
US-10428008-B2 Nitroalkene non steroidal anti-inflammatory drugs (NA-NSAIDs) and methods of treating inflammation related conditions PTGES, PTGS1, PTGIS MPO 32/4885AKR1C3 659/4885AKR1C2 675/4885
US-20210107860-A1 NITROALKENE NON STEROIDAL ANTI-INFLAMMATORY DRUGS (NA-NSAIDS) AND METHODS OF TREATING INFLAMMATION RELATED CONDITIONS PTGES, PTGS1, PTGIS MPO 32/4885AKR1C3 659/4885AKR1C2 675/4885
US-10906864-B2 Nitroalkene non steroidal anti-inflammatory drugs (NA-NSAIDS) and methods of treating inflammation related conditions PTGES, PTGS1, PTGIS MPO 32/4885AKR1C3 659/4885AKR1C2 675/4885

“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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