SCHEMBL4129022

SCHEMBL4129022

C[C@H]1C[C@@H](NC(=O)O)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.65
P2RY1 P47900 1/20 0.56
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.49
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4131416 0.84 PTGDR2 (0.71) PTGDR2LMNASMN1; SMN2GFERNPSR1
SCHEMBL4134449 0.81 P2RY1 (0.61) P2RY1LMNASMN1; SMN2
SCHEMBL4134452 0.81 P2RY1 (0.61) P2RY1LMNASMN1; SMN2
SCHEMBL5503688 0.81 PTGDR2 (0.50) PTGDR2P2RY1LMNASMN1; SMN2
SCHEMBL27322991 0.81 PTGDR2 (0.55) PTGDR2P2RY1MEN1KMT2A
SCHEMBL5397091 0.79 PTGDR2 (1.00) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5404990 0.79 PTGDR2 (1.00) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4123966 0.78 PTGDR2 (0.79) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4136680 0.77 PTGDR2 (0.62) PTGDR2LMNASMN1; SMN2GFERNPSR1
SCHEMBL4130883 0.76 PTGDR2 (0.71) PTGDR2LMNASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 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 (2 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 PTGDR2 1/4885P2RY1 387/4885LMNA 4545/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 PTGDR2 1/4885P2RY1 387/4885LMNA 4545/4885

“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.