SCHEMBL6941753

SCHEMBL6941753

CN1CCC(CCOC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)(SN=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 3/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TBXA2R P21731 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PTGS2 P35354 5/20 0.46
▸ PTGS1 P23219 2/20 0.44
▸ AKR1B10 O60218 1/20 0.44
▸ UGT1A9 O60656 1/20 0.44
▸ TRPA1 O75762 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ MT-CO2 P00403 1/20 0.44
▸ ALB P02768 1/20 0.44
▸ CXCL8 P10145 1/20 0.44
▸ UGT1A6 P19224 1/20 0.44
▸ UGT1A1 P22309 1/20 0.44
▸ CXCR1 P25024 1/20 0.44
▸ ADRA1A P35348 1/20 0.44

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
Citric Acid SCHEMBL6428876 0.92 TTR (0.47) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL6429312 0.88 TTR (0.46) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL6476584 0.88 TTR (0.46) TTRCYP2C9USP2LMNATBXA2R
Hydrochloric Acid SCHEMBL6463838 0.87 TTR (0.52) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL13714635 0.85 ALDH1A1 (0.33) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL6949365 0.82 TTR (0.51) TTRCYP2C9USP2LMNATBXA2R
Hydrochloric Acid SCHEMBL6429096 0.82 TTR (0.50) TTRCYP2C9USP2LMNATBXA2R
Citric Acid SCHEMBL6950622 0.81 TTR (0.43) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL6429172 0.81 TTR (0.49) TTRCYP2C9USP2LMNATBXA2R
Hydrochloric Acid SCHEMBL6429404 0.80 TTR (0.48) TTRCYP2C9USP2LMNATBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 — — US disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 — — US disclosed
US-20080293678-A1 Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-27 — — US disclosed
US-20080293678-A1 Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-27 — — US disclosed
WO-2007123818-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-11-01 — — WO disclosed
WO-2007016136-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITONS AND METHODS OF USE NITROMED, INC. (US) 2007-02-08 — — WO disclosed
WO-2006099058-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-21 — — WO disclosed
US-6593347-B2 Especially a nitrosated and/or nitrosylated arylpropionic acid, arylacetic acid, enolic anilide or an oxicam NITROMED, INC. 2003-07-15 — — US disclosed
US-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NICOX S.A. (FR) 2002-02-07 — — US disclosed
US-6297260-B1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED, INC. 2001-10-02 — — 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 (3 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-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 TTR 701/4885CYP2C9 120/4885USP2 4353/4885
US-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NOS2, NOS3, NOS1 TTR 129/4885CYP2C9 81/4885USP2 2602/4885
US-20080293678-A1 Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use NOS3, REN, NOS1 TTR 716/4885CYP2C9 256/4885USP2 3229/4885

“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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