SCHEMBL8739202

SCHEMBL8739202

Cc1ccc(/C=C/C(=O)Nc2ccc(Cc3nc(Cl)c(CC(=O)O)c(N(C)C)n3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.51
TBXA2R P21731 1/20 0.50
PTGDR Q13258 1/20 0.50
MMP1 P03956 3/20 0.46
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
EGFR P00533 1/20 0.46
MCHR1 Q99705 2/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 2/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 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
SCHEMBL2008264 0.94 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRMMP1MMP2
SCHEMBL2008263 0.94 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRMMP1MMP2
SCHEMBL1652115 0.93 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRMMP1MMP2
SCHEMBL1652116 0.93 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRMMP1MMP2
SCHEMBL13051439 0.91 PTGDR2 (0.49) PTGDR2TBXA2RPTGDRMMP1MMP2
SCHEMBL1010277 0.90 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRMCHR1MAOB
SCHEMBL1010279 0.90 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRMCHR1MAOB
SCHEMBL1009852 0.89 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRMMP1MMP2
SCHEMBL1012449 0.89 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRMMP1MMP2
SCHEMBL10207394 0.87 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 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-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS HRH2, HRH1, HRH4 PTGDR2 11/4885TBXA2R 20/4885PTGDR 30/4885

“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.