SCHEMBL4128077

SCHEMBL4128077

C[C@H]1C[C@@H](NC(=O)OCc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)nc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.54
MAPT P10636 1/20 0.51
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.45
GFER P55789 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.42

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
SCHEMBL4128082 1.00 PTGDR2 (0.54) PTGDR2MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL4115600 0.86 PTGDR2 (0.60) PTGDR2LMNAGFERNPSR1
SCHEMBL5501675 0.86 PTGDR2 (0.60) PTGDR2LMNAGFERNPSR1
SCHEMBL4115596 0.86 PTGDR2 (0.60) PTGDR2LMNAGFERNPSR1
SCHEMBL5503246 0.85 PTGDR2 (0.59) PTGDR2LMNASMN1; SMN2GFERNPSR1
SCHEMBL4123305 0.85 PTGDR2 (0.59) PTGDR2LMNASMN1; SMN2GFERNPSR1
SCHEMBL4123301 0.85 PTGDR2 (0.59) PTGDR2LMNASMN1; SMN2GFERNPSR1
SCHEMBL4124845 0.84 PTGDR2 (0.58) PTGDR2MAPTLMNAALDH1A1GFER
SCHEMBL4124840 0.84 PTGDR2 (0.58) PTGDR2MAPTLMNAALDH1A1GFER
SCHEMBL13776342 0.81 PTGDR2 (0.53) PTGDR2LMNASMN1; SMN2GFERNPSR1

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 8 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-7211672-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-01 US disclosed
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-05-18 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 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 (4 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 1/4885MAPT 4208/4885LMNA 4545/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 PTGDR2 1/4885MAPT 4401/4885LMNA 4736/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 PTGDR2 1/4885MAPT 4208/4885LMNA 4545/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 PTGDR2 1/4885MAPT 4629/4885LMNA 4715/4885

“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.