SCHEMBL4123777

SCHEMBL4123777

COC(=O)c1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccc(Cl)cc3)C[C@@H]2C)cc1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.82
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL5392257 0.92 PTGDR2 (0.82) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL5392265 0.92 PTGDR2 (0.82) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL5392251 0.92 PTGDR2 (0.82) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4137120 0.92 PTGDR2 (0.72) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4114102 0.91 PTGDR2 (0.85) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4114105 0.91 PTGDR2 (0.85) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL6278448 0.91 PTGDR2 (0.85) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4114985 0.91 PTGDR2 (0.85) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4128335 0.91 PTGDR2 (0.85) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4114981 0.91 PTGDR2 (0.85) PTGDR2MEN1KMT2ALMNAHTT

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 5 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
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 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 (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 1/4885MEN1 4611/4885KMT2A 4216/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 PTGDR2 1/4885MEN1 4611/4885KMT2A 4216/4885

“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.