SCHEMBL4044366

SCHEMBL4044366

O=C(O)Nc1ccc(C(F)(F)F)cc1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.44
LIPC P11150 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
KDM1A O60341 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
P2RX1 P51575 1/20 0.40
EPHX2 P34913 1/20 0.40
CDK2 P24941 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
SCHEMBL7380237 0.86 MEN1 (0.44) MEN1KMT2AALDH1A1LIPCLIPG
SCHEMBL7388602 0.83 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL4050662 0.80 RXFP1 (0.51) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL2432349 0.80 GAA (0.51) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL19358889 0.78 KIF11 (0.56) MEN1KMT2AALDH1A1LIPCLIPG
SCHEMBL17796948 0.77 TAS2R14 (0.48) MEN1KMT2AALDH1A1LIPCLIPG
SCHEMBL16060789 0.77 KDM4E (0.57) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL17797034 0.76 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPTTAS2R14
SCHEMBL17220661 0.76 MEN1 (0.47) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL12894743 0.75 PTPN5 (0.41) MEN1KMT2ALIPCLIPGCYP1A2

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-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-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
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
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 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MEN1 3440/4885KMT2A 1405/4885ALDH1A1 705/4885

“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.