SCHEMBL4127735

SCHEMBL4127735

COc1cccc(C(=O)N2CCC(Nc3ccccc3)c3ccccc32)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.57
BRD2 P25440 1/20 0.57
BRD3 Q15059 1/20 0.57
SPTLC2 O15270 1/20 0.55
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
P2RY1 P47900 2/20 0.52
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL4131021 0.88 P2RY1 (0.66) BRD4BRD2BRD3SPTLC2TSHR
SCHEMBL6979289 0.85 SPTLC2 (0.71) BRD4BRD2BRD3SPTLC2P2RY1
SCHEMBL4123944 0.82 LMNA (0.66) SMN1; SMN2P2RY1LMNAGFER
SCHEMBL4129242 0.82 LMNA (0.66) SMN1; SMN2P2RY1LMNAGFER
SCHEMBL4129674 0.82 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL4130469 0.82 SMN1; SMN2 (0.49) TSHRSMN1; SMN2P2RY1KDM4EALDH1A1
SCHEMBL6979836 0.79 SPTLC2 (0.70) BRD4BRD2BRD3SPTLC2KDM4E
SCHEMBL6981585 0.79 SPTLC2 (0.75) BRD4BRD2BRD3SPTLC2KDM4E
SCHEMBL6977888 0.78 SPTLC2 (0.69) BRD4BRD2BRD3SPTLC2P2RY1
SCHEMBL6968663 0.78 SPTLC2 (0.84) BRD4BRD2BRD3SPTLC2KDM4E

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 10 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
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP 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
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO 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 BRD4 1768/4885BRD2 651/4885BRD3 1821/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 BRD4 1267/4885BRD2 544/4885BRD3 1426/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 BRD4 1768/4885BRD2 651/4885BRD3 1821/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 BRD4 1699/4885BRD2 736/4885BRD3 1814/4885

“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.