SCHEMBL5764432

SCHEMBL5764432

COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.41
MCL1 Q07820 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL7408542 1.00 ELANE (0.45) ELANECA1CA2POLBKMT2A
SCHEMBL29879680 1.00 ELANE (0.45) ELANECA1CA2POLBKMT2A
SCHEMBL2569233 1.00 ELANE (0.45) ELANECA1CA2POLBKMT2A
SCHEMBL2569312 1.00 ELANE (0.45) ELANECA1CA2POLBKMT2A
SCHEMBL7408543 1.00 ELANE (0.45) ELANECA1CA2POLBKMT2A
SCHEMBL2569236 1.00 ELANE (0.45) ELANECA1CA2POLBKMT2A
SCHEMBL16256989 0.94 ELANE (0.49) ELANECA1CA2POLBLMNA
SCHEMBL29510702 0.94 ELANE (0.49) ELANECA1CA2POLBLMNA
SCHEMBL8481733 0.92 GAA (0.46) ELANECA1CA2POLBKMT2A
SCHEMBL7301497 0.92 GAA (0.46) ELANECA1CA2POLBKMT2A

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
WO-2014127747-A1 DPP-IV-INHIBITING COMPOUNDS AND INTERMEDIATES THEREOF 成都先导药物开发有限公司 (CN) 2014-08-28 WO 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 1037/4885CA1 4107/4885CA2 3810/4885
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B ELANE 191/4885CA1 4413/4885CA2 3488/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A ELANE 190/4885CA1 4288/4885CA2 3213/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A ELANE 197/4885CA1 4541/4885CA2 3628/4885

“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.