SCHEMBL1782571

SCHEMBL1782571

CC(C)(C)OC(=O)C1(NCC(=O)O)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.33
MAPT P10636 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
CYP2C19 P33261 1/20 0.31
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA14 Q9ULX7 1/20 0.30
F2 P00734 1/20 0.30
PROC P04070 1/20 0.30

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
Water SCHEMBL6244439 0.98 MME (0.32) MMEMAPTITGB3ITGA2BCYP2C19
SCHEMBL6864504 0.98 MME (0.33) MMEITGB3ITGA2BF2PROC
SCHEMBL22529222 0.92 CYP4F2 (0.31) ITGB3ITGA2B
SCHEMBL6676794 0.86 MAPT (0.37) MAPTITGB3ITGA2BEPHX1ALDH1A1
SCHEMBL3525418 0.86 CA12 (0.42) MAPTEPHX1ALDH1A1L3MBTL1CA12
SCHEMBL7431988 0.79 MAPT (0.40) MAPTEPHX1ALDH1A1L3MBTL1CA12
SCHEMBL7437999 0.77 MAPT (0.38) MAPTALDH1A1L3MBTL1CA12CA2
SCHEMBL1696853 0.77 CA12 (0.41) CA12CA2CA14
SCHEMBL27175299 0.77 CTSL (0.46) CYP2C19ALDH1A1L3MBTL1
SCHEMBL5359677 0.76 MAPT (0.35) MAPTEPHX1ALDH1A1L3MBTL1

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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920093-B2 Dimeric IAP inhibitors TetraLogic Birinapant UK Ltd. (GB) 2018-03-20 US disclosed
US-20160355547-A1 Dimeric IAP Inhibitors TETRALOGIC BIRINAPANT UK LTD (GB) 2016-12-08 US disclosed
US-20160052965-A1 Dimeric IAP Inhibitors TetraLogic Birinapant UK Ltd. (GB) 2016-02-25 US disclosed
US-9187490-B2 Dimeric IAP inhibitors TetraLogic Birinapant UK Ltd. (GB) 2015-11-17 US disclosed
US-20140329823-A1 Dimeric IAP Inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-11-06 US disclosed
US-8822525-B2 Dimeric IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-09-02 US disclosed
EP-1851200-B1 DIMERIC IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2014-01-15 EP disclosed
US-20130289042-A1 DIMERIC IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION 2013-10-31 US disclosed
US-8497297-B2 Dimeric IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-30 US disclosed
EP-1644342-B1 Arylpyrimidines useful for the treatment of sex hormone-related conditions such as endometriosis, prostate cancer and the like NEUROCRINE BIOSCIENCES INC (US) 2012-05-09 EP disclosed
WO-2002008244-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2002-01-31 WO disclosed
WO-2002008187-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2002-01-31 WO disclosed
US-20010031858-A1 Process for the preparation of acetyl-amidiniophenylalanyl-cyclohexylglycyl-pyridinioalaninamides SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2001-10-18 US disclosed
WO-2001055175-A2 PROCESS FOR THE PREPARATION OF ACETYL-AMIDINIOPHENYLALANYL-CYCLOHEXYLGLYCYL-PYRIDINIOALANINAMIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-02 WO disclosed
EP-0647629-B1 Neurotensin active substituted 1-naphthylpyrazole-3-carboxamides, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1999-07-07 EP disclosed
US-5744487-A PROTEASE INHIBITORS MITSUBISHI CHEMICAL CORPORATION (JP) 1998-04-28 US disclosed
US-5523455-A PREPARED USING A NAPHTHYLHYDRAZINE CHEMICAL INTERMEDIATE SANOFI (FR) 1996-06-04 US disclosed
US-5502059-A DOPAMINERGIC DYSFUNCTION DISORDERS SANOFI (FR) 1996-03-26 US disclosed
EP-0669317-A1 Prolineamide derivatives Mitsubishi Chemical Corporation (JP) 1995-08-30 EP disclosed
EP-0647629-A1 Neurotensin active substituted 1-naphthylpyrazole-3-carboxamides, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-04-12 EP 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 (5 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-20140329823-A1 Dimeric IAP Inhibitors BIRC2, XIAP, BIRC5 MME 2750/4885MAPT 3849/4885ITGB3 4676/4885
US-20160052965-A1 Dimeric IAP Inhibitors BIRC2, XIAP, BIRC5 MME 2750/4885MAPT 3849/4885ITGB3 4676/4885
US-20160355547-A1 Dimeric IAP Inhibitors BIRC2, XIAP, BIRC5 MME 2750/4885MAPT 3849/4885ITGB3 4676/4885
US-20010031858-A1 Process for the preparation of acetyl-amidiniophenylalanyl-cyclohexylglycyl-pyridinioalaninamides SERPINC1, F12, F11 MME 634/4885MAPT 4707/4885ITGB3 1765/4885
US-20130289042-A1 DIMERIC IAP INHIBITORS BIRC2, XIAP, BIRC5 MME 2750/4885MAPT 3849/4885ITGB3 4676/4885

“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.