SCHEMBL4128960

SCHEMBL4128960

COc1cccc(C(=O)N2c3ccccc3[C@@H](N)C[C@H]2C)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.67
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4128957 1.00 PTGDR2 (0.67) PTGDR2BCHEACHEHPGDTSHR
SCHEMBL6420229 0.88 PTGDR2 (0.70) PTGDR2BCHEACHEHPGD
SCHEMBL4124332 0.87 PTGDR2 (0.65) PTGDR2
SCHEMBL5497430 0.87 PTGDR2 (0.65) PTGDR2
SCHEMBL4116661 0.87 PTGDR2 (0.65) PTGDR2
SCHEMBL6070649 0.86 PTGDR2 (0.70) PTGDR2
SCHEMBL5319959 0.86 PTGDR2 (0.70) PTGDR2
SCHEMBL6070644 0.86 PTGDR2 (0.70) PTGDR2
SCHEMBL4123941 0.83 PTGDR2 (0.58) PTGDR2BCHEACHEHPGD
SCHEMBL4129242 0.83 LMNA (0.66) PTGDR2SMN1; SMN2

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 6 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
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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 (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 1/4885BCHE 3008/4885ACHE 4577/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 PTGDR2 1/4885BCHE 3003/4885ACHE 4557/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 PTGDR2 1/4885BCHE 3008/4885ACHE 4577/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 PTGDR2 1/4885BCHE 3087/4885ACHE 4657/4885

“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.