SCHEMBL5765731

SCHEMBL5765731

Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)OCc3ccccc3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
LMNA P02545 1/20 0.38
NPC1L1 Q9UHC9 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ABCB1 P08183 1/20 0.37
ITGB1 P05556 4/20 0.37
ITGA5 P08648 4/20 0.37
ITGB3 P05106 3/20 0.37
ITGAV P06756 3/20 0.37
ITGA2B P08514 2/20 0.37
ITGB5 P18084 2/20 0.37
P2RX7 Q99572 2/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6643379 1.00 ELANE (0.40) ELANELMNANPC1L1CA1CA2
SCHEMBL5764784 0.92 ELANE (0.40) ELANELMNANPC1L1CA1CA2
SCHEMBL10512340 0.88 ELANE (0.44) ELANELMNANPC1L1CA1CA2
SCHEMBL9587450 0.88 ELANE (0.44) ELANELMNANPC1L1CA1CA2
SCHEMBL9384838 0.88 ABCB1 (0.40) ELANEABCB1ITGB1ITGA5ITGB3
SCHEMBL12658835 0.87 ELANE (0.43) ELANELMNANPC1L1CA1CA2
SCHEMBL31603211 0.86 CYP2D6 (0.38) ABCB1POLB
SCHEMBL5764192 0.85 ELANE (0.44) ELANELMNANPC1L1CA1CA2
SCHEMBL5941126 0.85 ELANE (0.44) ELANELMNANPC1L1CA1CA2
SCHEMBL13297956 0.82 ABCB1 (0.41) ABCB1POLB

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-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
US-20050159444-A1 Bicyclic unsaturated tertiary amine compounds SANKYO COMPANY, LIMITED (JP) 2005-07-21 US disclosed
EP-1541571-A1 BICYCLIC UNSATURATED TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2005-06-15 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 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-20050159444-A1 Bicyclic unsaturated tertiary amine compounds IL1B, IL1A, STAT6 ELANE 1037/4885LMNA 2656/4885NPC1L1 1673/4885
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B ELANE 191/4885LMNA 1915/4885NPC1L1 4094/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A ELANE 190/4885LMNA 2479/4885NPC1L1 4230/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A ELANE 197/4885LMNA 2737/4885NPC1L1 3636/4885

“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.