SCHEMBL4132324

SCHEMBL4132324

CCOC(=O)COc1cc(C(=O)O)on1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SMPD1 P17405 1/20 0.43
HSD17B10 Q99714 2/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 3/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
PTPN1 P18031 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ABCB1 P08183 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL4124767 0.86 SMPD1 (0.44) KDM4EALDH1A1SMN1; SMN2SMPD1HSD17B10
SCHEMBL2722839 0.84 HCAR2 (0.52) HCAR2ALDH1A1SMN1; SMN2SMPD1HSD17B10
SCHEMBL32691182 0.81 HCAR2 (0.42) HCAR2KDM4EALDH1A1SMPD1HSD17B10
SCHEMBL4134852 0.81 HCAR2 (0.47) HCAR2SMPD1GAAL3MBTL1
SCHEMBL5888245 0.78 SMPD1 (0.57) HCAR2ALDH1A1SMPD1GAAL3MBTL1
SCHEMBL11303568 0.78 PTPN1 (0.54) KDM4EALDH1A1SMN1; SMN2HSD17B10TP53
SCHEMBL12334449 0.77 SMPD1 (0.63) HCAR2ALDH1A1SMPD1TP53GAA
SCHEMBL4129444 0.76 SMPD1 (0.43) HCAR2ALDH1A1SMN1; SMN2SMPD1GAA
SCHEMBL1527370 0.75 SMPD1 (0.72) HCAR2ALDH1A1SMPD1TP53HPGD
SCHEMBL892609 0.73 HCAR2 (0.55) HCAR2KDM4EALDH1A1SMN1; SMN2MAPT

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 9 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-7335655-B2 8-heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-02-26 US disclosed
US-7335655-B2 8-heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-02-26 US disclosed
US-7205403-B2 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-04-17 US disclosed
US-7205403-B2 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-04-17 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 HCAR2 34/4885KDM4E 4797/4885ALDH1A1 1599/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 HCAR2 34/4885KDM4E 4797/4885ALDH1A1 1599/4885

“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.