SCHEMBL3380357

SCHEMBL3380357

O=C1CSCc2cc(C(F)(F)F)ccc2N1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 17/20 0.52
TDP2 O95551 1/20 0.48
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43
GAA P10253 1/20 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
SCHEMBL4596516 0.88 KIF11 (0.70) KIF11TDP2GAA
SCHEMBL31492431 0.80 TDP2 (0.66) KIF11TDP2GAA
SCHEMBL578303 0.80 TDP2 (0.66) KIF11TDP2GAA
SCHEMBL2238253 0.80 KIF11 (0.77) KIF11TDP2PKMPKLR
SCHEMBL6754956 0.79 KIF11 (0.68) KIF11
SCHEMBL7376776 0.78 CES1 (0.51) KIF11
SCHEMBL7378969 0.77 KIF11 (0.44) KIF11TDP2PKMPKLR
SCHEMBL9024780 0.76 KIF11 (0.67) KIF11TDP2PKMPKLR
SCHEMBL5101758 0.76 AHR (0.64) PKM
SCHEMBL5807896 0.75 MAOB (0.38) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694658-B1 METHOD FOR THE PRODUCTION OF A THIAZOLO [3,4,5-DE] [4,1]BENZOTHIAZEPINE-TYPE PRODUCT AVENTIS PHARMA SA (FR) 2009-02-25 EP claimed
US-7179909-B2 Process for the manufacture of a product of the thiazolo [3,4,5-de] [4,1]benzothiazepine type AVENTIS PHARMA S.A. (FR) 2007-02-20 US claimed
EP-1694658-A1 METHOD FOR THE PRODUCTION OF A THIAZOLO [3,4,5-DE] [4,1]BENZOTHIAZEPINE-TYPE PRODUCT Aventis Pharma S.A. (FR) 2006-08-30 EP claimed
US-20050165002-A1 Process for the manufacture of a product of the thiazolo [3,4,5-de] [4,1]benzothiazepine type AVENTIS PHARMA S.A. (FR) 2005-07-28 US claimed
WO-2005066146-A1 METHOD FOR THE PRODUCTION OF A THIAZOLO[3,4,5-DE][4,1]BENZOTHIAZEPINE-TYPE PRODUCT AVENTIS PHARMA S.A. (FR) 2005-07-21 WO claimed
EP-1585525-B1 USE OF THIAZOLOBENZOHETEROCYCLES FOR TREATING MULTIPLE SCLEROSIS AVENTIS PHARMA INC (US) 2010-11-17 EP disclosed
EP-1694658-B1 METHOD FOR THE PRODUCTION OF A THIAZOLO [3,4,5-DE] [4,1]BENZOTHIAZEPINE-TYPE PRODUCT AVENTIS PHARMA SA (FR) 2009-02-25 EP disclosed
EP-1694658-B1 METHOD FOR THE PRODUCTION OF A THIAZOLO [3,4,5-DE] [4,1]BENZOTHIAZEPINE-TYPE PRODUCT AVENTIS PHARMA SA (FR) 2009-02-25 EP disclosed
US-7179909-B2 Process for the manufacture of a product of the thiazolo [3,4,5-de] [4,1]benzothiazepine type AVENTIS PHARMA S.A. (FR) 2007-02-20 US disclosed
US-7179909-B2 Process for the manufacture of a product of the thiazolo [3,4,5-de] [4,1]benzothiazepine type AVENTIS PHARMA S.A. (FR) 2007-02-20 US disclosed
US-7179909-B2 Process for the manufacture of a product of the thiazolo [3,4,5-de] [4,1]benzothiazepine type AVENTIS PHARMA S.A. (FR) 2007-02-20 US disclosed
EP-1694658-A1 METHOD FOR THE PRODUCTION OF A THIAZOLO [3,4,5-DE] [4,1]BENZOTHIAZEPINE-TYPE PRODUCT Aventis Pharma S.A. (FR) 2006-08-30 EP disclosed
WO-2005066146-A1 METHOD FOR THE PRODUCTION OF A THIAZOLO[3,4,5-DE][4,1]BENZOTHIAZEPINE-TYPE PRODUCT AVENTIS PHARMA S.A. (FR) 2005-07-21 WO disclosed
US-20040147504-A1 Use of Thiazolobenzoheterocycles for treating multiple sclerosis AVENTIS PHARMACEUTICALS INC. (US) 2004-07-29 US disclosed
WO-2004058271-A1 USE OF THIAZOLOBENZOHETEROCYCLES FOR TREATING MULTIPLE SCLEROSIS AVENTIS PHARMACEUTICALS INC. (US) 2004-07-15 WO disclosed
WO-2004058271-A1 USE OF THIAZOLOBENZOHETEROCYCLES FOR TREATING MULTIPLE SCLEROSIS AVENTIS PHARMACEUTICALS INC. (US) 2004-07-15 WO disclosed
EP-1000067-B1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-10-23 EP disclosed
US-6369221-B1 Thiazolobenzoheterocycles, preparation and medicines containing same AVENTIS PHARMA S.A. (FR) 2002-04-09 US disclosed
EP-1000067-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME Aventis Pharma S.A. (FR) 2000-05-17 EP disclosed
WO-1999005147-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1999-02-04 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 (2 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-20050165002-A1 Process for the manufacture of a product of the thiazolo [3,4,5-de] [4,1]benzothiazepine type CYP2S1, CYP3A4, CYP2D6 KIF11 2007/4885TDP2 2985/4885PKM 1701/4885
US-20040147504-A1 Use of Thiazolobenzoheterocycles for treating multiple sclerosis PMP22, LTB4R2, MYT1 KIF11 4013/4885TDP2 2930/4885PKM 2830/4885

“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.