SCHEMBL5764192

SCHEMBL5764192

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.44
LMNA P02545 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
GFER P55789 1/20 0.40
NPC1L1 Q9UHC9 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.39
CYP2D6 P10635 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGB1 P05556 2/20 0.39
ITGAV P06756 2/20 0.39
ITGA2B P08514 2/20 0.39
ITGA5 P08648 2/20 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
SCHEMBL5941126 1.00 ELANE (0.44) ELANELMNACA1CA2MAPT
SCHEMBL9587450 0.92 ELANE (0.44) ELANELMNACA1CA2MAPT
SCHEMBL10512340 0.92 ELANE (0.44) ELANELMNACA1CA2MAPT
SCHEMBL12658835 0.90 ELANE (0.43) ELANELMNACA1CA2MAPT
SCHEMBL9075147 0.87 ELANE (0.45) ELANELMNACA1CA2MAPT
SCHEMBL9075150 0.87 ELANE (0.45) ELANELMNACA1CA2MAPT
SCHEMBL7347260 0.87 ELANE (0.45) ELANELMNACA1CA2MAPT
SCHEMBL29510702 0.86 ELANE (0.49) ELANELMNACA1CA2MAPT
SCHEMBL15978652 0.86 POLB (0.45) ELANELMNACA1CA2MAPT
SCHEMBL16256989 0.86 ELANE (0.49) ELANELMNACA1CA2MAPT

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
EP-2847208-B1 C-17 BICYCLIC AMINES OF TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-10-04 EP disclosed
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 2656/4885CA1 4107/4885
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B ELANE 191/4885LMNA 1915/4885CA1 4413/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A ELANE 190/4885LMNA 2479/4885CA1 4288/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A ELANE 197/4885LMNA 2737/4885CA1 4541/4885

“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.