SCHEMBL4450148

SCHEMBL4450148

O=C(Cc1cscc1Nc1c(Cl)cccc1Cl)OCCCCBr

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 3/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TBXA2R P21731 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PTGS2 P35354 6/20 0.41
▸ PTGS1 P23219 2/20 0.41
▸ AKR1B10 O60218 1/20 0.41
▸ UGT1A9 O60656 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ MT-CO2 P00403 1/20 0.41
▸ ALB P02768 1/20 0.41
▸ CXCL8 P10145 1/20 0.41
▸ UGT1A6 P19224 1/20 0.41
▸ UGT1A1 P22309 1/20 0.41
▸ CXCR1 P25024 1/20 0.41
▸ ADRA1A P35348 1/20 0.41

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
SCHEMBL4443753 0.85 TTR (0.45) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11376850 0.82 TTR (0.53) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL688218 0.82 TTR (0.48) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11366136 0.81 TTR (0.50) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11376343 0.80 TTR (0.56) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11406525 0.80 TTR (0.50) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11372410 0.77 TTR (0.46) TTRCYP2C9USP2LMNATBXA2R
Eltenac SCHEMBL145080 0.77 PTGS2 (0.67) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11369388 0.77 PTGS2 (0.47) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11348348 0.76 PTGS2 (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524973-B2 Nitrate esters of phenylaminothiophenacetic acid derivatives ALTANA PHARMA AG (US) 2009-04-28 — — US disclosed
EP-1601663-B1 NITRATE ESTERS OF PHENYLAMINOTHIOPHENACETIC ACID DERIVATIVES NYCOMED GMBH (DE) 2008-12-10 — — EP disclosed
US-20060167082-A1 Nitrate esters of phenylaminothiophenacetic acid derivatives ALTANA PHARMA AG (DE) 2006-07-27 — — US disclosed
EP-1601663-A1 NITRATE ESTERS OF PHENYLAMINOTHIOPHENACETIC ACID DERIVATIVES ALTANA Pharma AG (DE) 2005-12-07 — — EP disclosed
WO-2004074271-A1 NITRATE ESTERS OF PHENYLAMINOTHIOPHENACETIC ACID DERIVATIVES ALTANA PHARMA AG (DE) 2004-09-02 — — WO 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-20060167082-A1 Nitrate esters of phenylaminothiophenacetic acid derivatives NOS3, NOS2, NOS1 TTR 1240/4885CYP2C9 391/4885USP2 2577/4885

“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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