SCHEMBL4047337

SCHEMBL4047337

O=Cc1cc(C(F)(F)F)ccc1NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TSHR P16473 1/20 0.40
LIPC P11150 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
RAB9A P51151 2/20 0.40
EPHX2 P34913 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
P2RX1 P51575 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KIF11 P52732 1/20 0.39
KCNK3 O14649 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRIK1 P39086 1/20 0.39
SRD5A2 P31213 1/20 0.39
TGM2 P21980 1/20 0.38

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
SCHEMBL6094043 0.83 TACR1 (0.42) MEN1KMT2ATSHRLIPCLIPG
SCHEMBL6755112 0.80 RXFP1 (0.51) MEN1KMT2ATSHRMAPTHTT
SCHEMBL29950895 0.80 RXFP1 (0.51) MEN1KMT2ATSHRMAPTHTT
SCHEMBL2432349 0.80 GAA (0.51) MEN1KMT2ATAS2R14RAB9AEPHX2
SCHEMBL20164134 0.80 ALDH1A1 (0.46) RAB9AMAPTHTTALDH1A1NPC1
SCHEMBL19358889 0.78 KIF11 (0.56) MEN1KMT2ATSHRLIPCLIPG
SCHEMBL3650521 0.78 KIF11 (0.43) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL14398168 0.77 SMN1; SMN2 (0.44) MEN1KMT2ATSHRTAS2R14MAPT
SCHEMBL17796948 0.77 TAS2R14 (0.48) MEN1KMT2ALIPCLIPGTAS2R14
SCHEMBL16060789 0.77 KDM4E (0.57) MEN1KMT2ATSHRMAPTALDH1A1

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 18 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
US-6713468-B2 AS ANTICONVULSANTS; FOR THERAPY AND PROPHYLAXIS OF ISCHAEMIAS, ANOXIA, NEURODEGENERATIVE DISEASES AVENTIS PHARMA S.A. (FR) 2004-03-30 US disclosed
US-20030055031-A1 Methods of using thiazolobenzoheterocycles RHONE-POULENC RORER S.A. 2003-03-20 US disclosed
US-6448241-B1 THESE COMPOUNDS ARE ANTICONVULSANTS AND INTERFERE WITH GLUTAMATERGIC TRANSMISSION AND ARE THEREFORE USEFUL FOR THE TREATMENT OR PREVENTION OF ALL ISCHAEMIAS FOLLOWING CEREBROVASCULAR ACCIDENTS AVENTIS PHARMA S.A. (FR) 2002-09-10 US disclosed
EP-0966473-B1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-07-24 EP disclosed
US-6423715-B1 ANTICONVULSANTS AVENTIS PHARMA S.A. (FR) 2002-07-23 US disclosed
US-6288075-B1 ANTIEPILEPTIC AGENTS; NERVOUS SYSTEM, BRAIN, AND CARDIOVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2001-09-11 US disclosed
EP-0966473-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME Aventis Pharma S.A. (FR) 1999-12-29 EP disclosed
WO-1998038194-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1998-09-03 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-20030055031-A1 Methods of using thiazolobenzoheterocycles SLCO2B1, SLCO1B1, CYP21A2 MEN1 1505/4885KMT2A 4326/4885TSHR 804/4885
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 1405/4885TSHR 1108/4885

“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.