SCHEMBL577294

SCHEMBL577294

O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCc1cccc(N2C(O)c3ccccc3C2O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.54
CYP2C9 P11712 2/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
TBXA2R P21731 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
PTGS2 P35354 6/20 0.52
PTGS1 P23219 2/20 0.47
AKR1B10 O60218 1/20 0.47
UGT1A9 O60656 1/20 0.47
TRPA1 O75762 1/20 0.47
ABCB11 O95342 1/20 0.47
MT-CO2 P00403 1/20 0.47
ALB P02768 1/20 0.47
CXCL8 P10145 1/20 0.47
UGT1A6 P19224 1/20 0.47
UGT1A1 P22309 1/20 0.47
CXCR1 P25024 1/20 0.47
ADRA1A P35348 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
SCHEMBL577044 0.90 TTR (0.56) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL577368 0.84 TTR (0.58) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL2688692 0.83 TTR (0.54) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL5539945 0.82 TTR (0.55) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11662536 0.81 TTR (0.75) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL2690245 0.78 TTR (0.60) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL10782409 0.78 TTR (0.76) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL21401062 0.76 TTR (0.67) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11814966 0.75 TTR (0.65) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL13109326 0.75 TTR (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418200-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF- MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S. A. (BR) 2012-02-15 EP claimed
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S.A. (BR) 2012-05-10 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-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES TNF, PER2, CRY1 TTR 53/4885CYP2C9 460/4885USP2 2427/4885

“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.