SCHEMBL4123063

SCHEMBL4123063

COC(=O)c1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccc(Cl)cc3)C[C@@H]2C)s1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.66
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL4123711 0.92 PTGDR2 (0.72) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4128459 0.88 PTGDR2 (0.69) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4137487 0.88 PTGDR2 (0.69) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4128457 0.88 PTGDR2 (0.69) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4123777 0.86 PTGDR2 (0.82) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4137120 0.84 PTGDR2 (0.72) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4122781 0.83 PTGDR2 (0.71) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4122778 0.83 PTGDR2 (0.71) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4133326 0.83 PTGDR2 (0.71) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5408167 0.83 PTGDR2 (0.70) PTGDR2MEN1KMT2ALMNASMN1; 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 7 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-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
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-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 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 1/4885MEN1 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.