SCHEMBL8738714

SCHEMBL8738714

CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)nc(Cl)c1CC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.65
TBXA2R P21731 1/20 0.65
PTGDR Q13258 1/20 0.65
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL8738078 0.92 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRALDH1A1MEN1
SCHEMBL1652104 0.90 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRALDH1A1MEN1
SCHEMBL1652154 0.89 PTGDR2 (0.69) PTGDR2TBXA2RPTGDRALDH1A1SMN1; SMN2
SCHEMBL8737655 0.89 PTGDR2 (0.69) PTGDR2TBXA2RPTGDRRAB9AKDM4E
SCHEMBL1654290 0.88 PTGDR2 (0.68) PTGDR2TBXA2RPTGDRMEN1KMT2A
SCHEMBL15746418 0.88 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRKDM4ENR1H4
SCHEMBL1652434 0.86 PTGDR2 (0.66) PTGDR2TBXA2RPTGDRALDH1A1KMT2A
SCHEMBL1652340 0.86 PTGDR2 (0.87) PTGDR2TBXA2RPTGDRNR1H4
SCHEMBL1652387 0.85 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRMEN1KMT2A
SCHEMBL1652371 0.85 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRMEN1KMT2A

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.